SCHEMBL924296

SCHEMBL924296

CNc1cc(CCC(=O)O)cc(-c2ccc3[nH]ncc3c2)c1OC1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.41
MAPK14 Q16539 1/20 0.38
ROCK2 O75116 6/20 0.38
ROCK1 Q13464 5/20 0.38
GSK3B P49841 4/20 0.38
CDK5 Q00535 4/20 0.38
DYRK1A Q13627 4/20 0.38
AURKA O14965 3/20 0.38
CDK1 P06493 3/20 0.38
PRKACA P17612 3/20 0.38
CDK2 P24941 3/20 0.38
MARK3 P27448 3/20 0.38
MAPK1 P28482 3/20 0.38
GSK3A P49840 3/20 0.38
CDC42BPA Q5VT25 3/20 0.38
AURKB Q96GD4 3/20 0.38
PIM1 P11309 2/20 0.38
DAPK3 O43293 2/20 0.38
JAK2 O60674 2/20 0.38
FGFR1 P11362 2/20 0.38

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
SCHEMBL923645 0.87 TRPA1 (0.41) TRPA1ROCK2ROCK1GSK3BCDK5
SCHEMBL3882183 0.87 TRPA1 (0.45) TRPA1ROCK2ROCK1GSK3BCDK5
SCHEMBL3891750 0.84 TRPA1 (0.38) TRPA1ROCK2ROCK1GSK3BCDK5
SCHEMBL3891742 0.84 TRPA1 (0.38) TRPA1ROCK2ROCK1GSK3BCDK5
SCHEMBL924797 0.83 AR (0.44) TRPA1
SCHEMBL3882061 0.83 FFAR4 (0.45) TRPA1ROCK2ROCK1GSK3BCDK5
SCHEMBL923097 0.82 RAD51 (0.37)
SCHEMBL3884737 0.81 TRPA1 (0.41) TRPA1MAPK14ROCK2ROCK1GSK3B
SCHEMBL922867 0.79 USP7 (0.36) TRPA1MAPK14ROCK2GSK3BCDK5
SCHEMBL923774 0.79 ABCB1 (0.42) TRPA1MAPK14ROCK2CPT2CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620431-A1 Novel crystals of substituted phenylalkanoic acid and production process Asahi Kasei Pharma Corporation (JP) 2013-07-31 EP disclosed
EP-2045244-B1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID AND PRODUCTION PROCESS ASAHI KASEI PHARMA CORP (JP) 2013-04-03 EP disclosed
US-7935720-B2 Crystal of substituted phenylalkanoic acid ester and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20110021593-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME SHODA MOTOSHI 2011-01-27 US disclosed
US-7838546-B2 Crystal of substituted phenylalkanoic acid ester and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2010-11-23 US disclosed
US-20100234440-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME SHODA MOTOSHI 2010-09-16 US disclosed
US-7754752-B2 Crystals of substituted phenylalkanoic acid and method of producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2010-07-13 US disclosed
US-20090312386-A1 NOVEL CRYSTALS OF SUBSTITUTED PHENYLALKANOIC ACID AND METHOD OF PRODUCING THE SAME ARIMOTO YUICHI 2009-12-17 US disclosed
US-7560478-B2 Crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-14 US disclosed
EP-2045244-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID AND PRODUCTION PROCESS Asahi Kasei Pharma Corporation (JP) 2009-04-08 EP disclosed
US-20080070967-A1 Novel crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2008-03-20 US disclosed