SCHEMBL922973

SCHEMBL922973

Nc1cc(CCC(=O)O)cc(-c2ccc3[nH]ncc3c2)c1OC1Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.40
PTGER1 P34995 3/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
F11 P03951 1/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
TRPA1 O75762 2/20 0.36
ROCK2 O75116 2/20 0.36
CYP3A4 P08684 2/20 0.36
GRIN2B Q13224 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 1/20 0.36
ATR Q13535 1/20 0.35

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
SCHEMBL923783 0.92 PTGER1 (0.40) CDC7PTGER1PTGER4PTGER3PTGER2
SCHEMBL923645 0.90 TRPA1 (0.41) CDC7F11CPT2CPT1ATRPA1
SCHEMBL923774 0.89 ABCB1 (0.42) CPT2CPT1ATRPA1ROCK2ATR
SCHEMBL922867 0.88 USP7 (0.36) CDC7F11CPT2CPT1ATRPA1
SCHEMBL924514 0.87 USP7 (0.38) CDC7F11CPT2CPT1ATRPA1
SCHEMBL923766 0.87 TRPA1 (0.39) CPT2CPT1ATRPA1ROCK2CYP3A4
SCHEMBL923053 0.85 TRPA1 (0.39) CDC7CPT2CPT1ATRPA1ROCK2
SCHEMBL923929 0.84 AR (0.41) PTGER1PTGER4PTGER3PTGER2THRA
SCHEMBL924513 0.83 ROCK2 (0.39) ROCK2
SCHEMBL923482 0.83 FABP4 (0.36) CDC7F11CPT2CPT1ATRPA1

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