SCHEMBL925399

SCHEMBL925399

Nc1cc(CCC(=O)O)cc(-c2ccc3[nH]ncc3c2)c1OC1Cc2cccc(F)c2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.40
FFAR4 Q5NUL3 3/20 0.37
FABP4 P15090 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
ROCK2 O75116 4/20 0.35
ROCK1 Q13464 4/20 0.35
GRIN2B Q13224 1/20 0.34
CDC7 O00311 1/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
FFAR1 O14842 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
GPER1 Q99527 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
SCHEMBL923482 0.91 FABP4 (0.36) TRPA1FFAR4FABP4CTNNB1WNT3A
SCHEMBL923766 0.90 TRPA1 (0.39) TRPA1FFAR4FABP4CTNNB1WNT3A
SCHEMBL923645 0.90 TRPA1 (0.41) TRPA1FFAR4FABP4CTNNB1WNT3A
SCHEMBL922985 0.89 ATR (0.38) TRPA1FFAR4FABP4ROCK2ROCK1
SCHEMBL923783 0.87 PTGER1 (0.40) TRPA1FFAR4ROCK2CDC7CPT2
SCHEMBL923053 0.86 TRPA1 (0.39) TRPA1FFAR4FABP4CTNNB1WNT3A
SCHEMBL922867 0.86 USP7 (0.36) TRPA1FFAR4FABP4CTNNB1WNT3A
SCHEMBL3882183 0.85 TRPA1 (0.45) TRPA1FFAR4FABP4CTNNB1WNT3A
SCHEMBL924447 0.84 AR (0.38) TRPA1FFAR4BRD4CREBBP
SCHEMBL923774 0.84 ABCB1 (0.42) TRPA1ROCK2CPT2CPT1A

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