SCHEMBL9797409

SCHEMBL9797409

CCCCCCCCCCCCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
MGLL Q99685 2/20 0.51
ALDH2 P05091 2/20 0.47
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
HTR2A P28223 1/20 0.44
CTRC Q99895 1/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9642671 0.90 MGLL (0.54) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL6391326 0.90 MAPT (0.57) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL93218 0.87 CTRC (0.56) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL4832122 0.87 CTRC (0.56) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL7255831 0.87 CTRC (0.56) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL9797006 0.87 LMNA (0.53) MAPTL3MBTL1CRHBPCRHR2ALDH2
SCHEMBL6105209 0.86 MAPT (0.58) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL7733755 0.86 MGLL (0.52) MAPTL3MBTL1CRHBPCRHR2MGLL
Hydrochloric Acid SCHEMBL8101674 0.85 MGLL (0.51) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL17187058 0.85 MAPT (0.55) MAPTL3MBTL1CRHBPCRHR2BCL9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269766-B1 COLOUR PHOTOGRAPHIC ELEMENT AGFA-GEVAERT N.V. (BE) 1991-02-06 EP disclosed
US-4822729-A 2,5-Diacylaminophenol-type color couplers and photographic elements containing same AGFA-GEVAERT, N.V. (BE) 1989-04-18 US disclosed
EP-0269766-A1 Colour photographic element AGFA-GEVAERT N.V. (BE) 1988-06-08 EP disclosed
US-4124396-A PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1978-11-07 US disclosed