SCHEMBL1139007

SCHEMBL1139007

O=C(O)CC(O)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 11/20 0.60
MMP13 P45452 10/20 0.60
MMP2 P08253 1/20 0.60
MMP9 P14780 1/20 0.60
MMP14 P50281 1/20 0.60
TSHR P16473 1/20 0.53
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 2/20 0.45
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
CYP1A2 P05177 1/20 0.44
KCNJ1 P48048 1/20 0.44

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
SCHEMBL10521027 1.00 MMP12 (0.60) MMP12MMP13MMP2MMP9MMP14
SCHEMBL28009952 0.91 MMP12 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL27590297 0.91 MMP12 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL18063402 0.84 TSHR (0.56) MMP12MMP13MMP2MMP9MMP14
SCHEMBL27547145 0.84 CYP2C19 (0.49) MMP2TSHRCYP2C19ALDH1A1MEN1
SCHEMBL5613749 0.83 MMP12 (0.67) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11548305 0.82 TSHR (0.62) TSHRCYP2C19ALDH1A1MEN1KMT2A
SCHEMBL3097653 0.82 TSHR (0.61) TSHRCYP2C19ALDH1A1MEN1KMT2A
SCHEMBL2561037 0.81 TSHR (0.56) TSHRCYP2C19ALDH1A1MEN1KMT2A
SCHEMBL5743507 0.81 TSHR (0.56) TSHRCYP2C19ALDH1A1KCNH2KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102076650-A Carboxylic acid compound DAIICHI SANKYO CO LTD 2011-05-25 CN disclosed
EP-1253160-B1 Electrophotographic encapsulated toner particles and method for making them CANON KK (JP) 2011-02-23 EP disclosed
US-7638590-B2 Polyhydroxyalkanoate having amide, sulfonic acid or sulfonate ester group, charge control agent and toner CANON KABUSHIKI KAISHA (JP) 2009-12-29 US disclosed
US-7615233-B2 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
US-7527809-B2 Polyhydroxyalkanoate-containing magnetic structure, and manufacturing method and use thereof CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed
EP-1275378-B1 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KK (JP) 2009-04-15 EP disclosed
US-20090029423-A1 METHOD FOR SEPARATING TARGET COMPONENT CANON KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
US-7459517-B2 Polyhydroxyalkanoate, process for preparing the same, and resin composition containing the polyhydroxyalkanoate CANON KABUSHIKI KAISHA (JP) 2008-12-02 US disclosed
EP-1113033-B1 Polyhydroxyalkanoate CANON KK (JP) 2008-11-26 EP disclosed
US-7452960-B2 Polyhydroxyalkanoate copolymer, resin composition, molded product, toner, image forming method and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2008-11-18 US disclosed
EP-1236755-A2 Novel polyhydroxyalkanoate containing unit phenylsulfanyl structure in the side cahin, process for its production, charge control agent, toner binder and toner which contain novel polyhydroxyalkanoate, and imageforming apparatus which make use of the toner CANON KABUSHIKI KAISHA (JP) 2002-09-04 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
US-20020065389-A1 Polyhydroxyalkanoate containing 3-hydroxythienylalkanoic acid as monomer unit and method for producing the same CANON KABUSHIKI KAISHA (JP) 2002-05-30 US disclosed
EP-1188782-A2 Polyhydroxyalkanoate and manufacturing method thereof CANON KABUSHIKI KAISHA (JP) 2002-03-20 EP disclosed
US-20020022253-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2002-02-21 US disclosed
CN-1321695-A Poly(hydroxy alkanoate), its preparation method and use of microbe in its preparation CANON KK (JP) 2001-11-14 CN disclosed
EP-1130043-A2 Polyhydroxylalkanoate containing 3-hydroxythienylalkanoic acid as monomer unit and method for producing the same CANON KABUSHIKI KAISHA (JP) 2001-09-05 EP disclosed
EP-1130042-A2 Polyhydroxyalkanoate containing 3-hydroxybenzoylalkanoic acid as monomer unit, and method for producing the same CANON KABUSHIKI KAISHA (JP) 2001-09-05 EP disclosed
EP-1113033-A2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2001-07-04 EP disclosed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed