SCHEMBL4864396

SCHEMBL4864396

O=C(O)CC(O)CCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 7/20 0.51
KCNH2 Q12809 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4613807 0.93 MAPT (0.52) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL4656212 0.84 MEN1 (0.60) MAPTALDH1A1KCNH2DRD4SMN1; SMN2
SCHEMBL11016123 0.84 MAPT (0.68) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL4472172 0.84 MAPT (0.52) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL4472174 0.81 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL1139604 0.81 TDP1 (0.54) L3MBTL1ALDH1A1TDP1PKM
SCHEMBL28009952 0.80 MMP12 (0.50) ALDH1A1KCNH2KMT2AMEN1
SCHEMBL13701225 0.80 MAPT (0.60) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL27590297 0.80 MMP12 (0.50) ALDH1A1KCNH2KMT2AMEN1
SCHEMBL9482551 0.80 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425432-B2 Polyhydroxy alkanoate copolymer including within molecule unit having vinyl group or carboxyl group in side chain, and producing method therefor CANON KABUSHIKI KAISHA (JP) 2008-09-16 US disclosed
EP-1262508-B1 Novel polyhydroxyalkanoate that comprises unit having substituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KK (JP) 2007-08-08 EP disclosed
EP-1253475-B1 Electrostatic charge image developing toner, producing method therefor, and image forming method and image forming apparatus utilizing the toner CANON KK (JP) 2007-08-08 EP disclosed
EP-1236752-B1 Polyhydroxyalkanoate polyester having vinyl phenyl structure in the side chain and its production method CANON KK (JP) 2007-01-03 EP disclosed
US-7153622-B2 Polyhydroxyalkanate overcoating a coloring agent CANON KABUSHIKI KAISHA (JP) 2006-12-26 US disclosed
US-7135540-B2 Polyhydroxyalkanoate copolymer including unit having bromo group in side chain and method for producing the same CANON KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211100-A1 Novel polyhydroxy alkanoate copolymer including within molecule unit having vinyl group or carboxyl group in side chain, and producing method therefor CANON KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
EP-1275727-B1 Polyhydroxyalkanoate with (methylsulfanyl) phenoxy structure in side chain CANON KK (JP) 2006-04-05 EP disclosed
US-20060040366-A1 New polyhydroxyalkanoate comprising unit having (phenylmethyl) oxy structure on side chain thereof, and method for producing the same CANON KABUSHIKI KAISHA (JP) 2006-02-23 US disclosed
EP-1340778-B1 Polyhydroxyalkanoates containing a vinylphenyl structure in their side chain and method of manufacturing the same CANON KK (JP) 2006-01-18 EP disclosed
CN-1424337-A Novel polyhydroxyalkanoate having unit of substituted or unsubstituted (phenylmethyl) sulfanyl structure in side chain, and method for producing same CANON KK (JP) 2003-06-18 CN disclosed
US-20030109015-A1 Novel polyhydroxyalkanoate that comprises unit having (methylsulfanyl) phenoxy structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2003-06-12 US disclosed
US-20030096384-A1 Novel polyhydroxyalkanoate that comprises unit having substituted or unsubstituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2003-05-22 US disclosed
US-20030073804-A1 Polyhydroxyalkanoate, producing method therefor charge control agent containing such polyhydroxyalkanoate, toner containing such charge control agent and image forming method and image forming apparatus utilizing such toner CANON KABUSHIKI KAISHA (JP) 2003-04-17 US disclosed
US-20030059907-A1 Polyhydroxyalkanoate polyester having vinyl phenyl structure in the side chain and its production method CANON KABUSHIKI KAISHA (JP) 2003-03-27 US disclosed
EP-1275727-A2 Polyhydroxyalkanoate with (methylsulfanyl) phenoxy structure in side chain CANON KABUSHIKI KAISHA (JP) 2003-01-15 EP disclosed
EP-1262508-A2 Novel polyhydroxyalkanoate that comprises unit having substituted or unsubstituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2002-12-04 EP disclosed
EP-1254918-A2 Novel polyhydroxyalkanoate, producing method therefor, charge control agent containing such polyhydroxyalkanoate, toner containing such charge control agent and image forming method and image forming apparatus utilizing such toner CANON KABUSHIKI KAISHA (JP) 2002-11-06 EP disclosed
EP-1253475-A2 Electrostatic charge image developing toner, producing method therefor, and image forming method and image forming apparatus utilizing the toner CANON KABUSHIKI KAISHA (JP) 2002-10-30 EP disclosed
EP-1236752-A2 Polyhydroxyalkanoate polyester having vinyl phenyl structure in the side chain and its production method CANON KABUSHIKI KAISHA (JP) 2002-09-04 EP disclosed