SCHEMBL923053

SCHEMBL923053

Nc1cc(CCC(=O)O)cc(-c2ccc3[nH]ncc3c2)c1OC1Cc2ccc(F)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.39
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
FFAR4 Q5NUL3 3/20 0.36
GRIN2B Q13224 1/20 0.36
FABP4 P15090 1/20 0.35
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 2/20 0.34
AR P10275 1/20 0.34
TGFBR1 P36897 1/20 0.34
MAPK14 Q16539 1/20 0.34
CDC7 O00311 1/20 0.33
GSK3B P49841 1/20 0.33
CDK2 P24941 1/20 0.33
AKT1 P31749 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL923766 0.93 TRPA1 (0.39) TRPA1CTNNB1WNT3AFFAR4GRIN2B
SCHEMBL924514 0.91 USP7 (0.38) TRPA1GRIN2BFABP4ROCK2AR
SCHEMBL923645 0.91 TRPA1 (0.41) TRPA1CTNNB1WNT3AFFAR4GRIN2B
SCHEMBL922867 0.90 USP7 (0.36) TRPA1CTNNB1WNT3AFFAR4GRIN2B
SCHEMBL924513 0.89 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL923774 0.88 ABCB1 (0.42) TRPA1ROCK2ARMAPK14CPT2
SCHEMBL925399 0.86 TRPA1 (0.40) TRPA1CTNNB1WNT3AFFAR4GRIN2B
SCHEMBL922973 0.85 CDC7 (0.40) TRPA1FFAR4GRIN2BROCK2CDC7
SCHEMBL3676420 0.84 THRA (0.47) TRPA1FFAR4GRIN2BFABP4ROCK2
SCHEMBL923482 0.84 FABP4 (0.36) TRPA1CTNNB1WNT3AFFAR4GRIN2B

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 12 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
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP 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