SCHEMBL924546

SCHEMBL924546

COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(OC2Cc3ccccc3C2)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.38
CCNC P24863 6/20 0.35
CDK8 P49336 6/20 0.35
TRPA1 O75762 1/20 0.35
CREBBP Q92793 2/20 0.34
BRD4 O60885 1/20 0.34
MERTK Q12866 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE1C Q14123 1/20 0.33
POLQ O75417 1/20 0.33
GAA P10253 1/20 0.33
PRMT5 O14744 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
SCHEMBL2944409 0.92 AR (0.39) ARCCNCCDK8TRPA1CREBBP
SCHEMBL2944414 0.92 AR (0.39) ARCCNCCDK8TRPA1CREBBP
SCHEMBL3887972 0.91 CCNC (0.35) CCNCCDK8
SCHEMBL3689034 0.90 CCNC (0.37) ARCCNCCDK8CYP11B2POLQ
SCHEMBL3881669 0.88 PTPN1 (0.34) ARCCNCCDK8CREBBPBRD4
SCHEMBL924410 0.87 AR (0.42) ARCCNCCDK8TRPA1CREBBP
SCHEMBL3883641 0.86 CCNC (0.44) CCNCCDK8
SCHEMBL3883920 0.84 TRPA1 (0.39) CCNCCDK8TRPA1CREBBPBRD4
SCHEMBL3884507 0.84 AR (0.41) ARCCNCCDK8TRPA1CREBBP
SCHEMBL3883989 0.83 RAD51 (0.36)

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 32 patents — showing the first 20. 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 claimed
US-7935720-B2 Crystal of substituted phenylalkanoic acid ester and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2011-05-03 US claimed
US-20110021593-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME SHODA MOTOSHI 2011-01-27 US claimed
EP-2045244-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID AND PRODUCTION PROCESS Asahi Kasei Pharma Corporation (JP) 2009-04-08 EP claimed
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 claimed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
CN-102690234-B Novel crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORP 2014-12-24 CN disclosed
EP-2620431-A1 Novel crystals of substituted phenylalkanoic acid and production process Asahi Kasei Pharma Corporation (JP) 2013-07-31 EP disclosed
CN-102690234-A Novel crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORP 2012-09-26 CN disclosed
CN-101490012-B Novel crystal of substituted phenylalkanoic acid and process for producing same ASAHI KASEI PHARMA CORP 2012-07-18 CN 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-7935720-B2 Crystal of substituted phenylalkanoic acid ester and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2011-05-03 US disclosed
CN-101490012-A Novel crystal of substituted phenylalkanoic acid and process for producing same ASAHI KASEI PHARMA CORP (JP) 2009-07-22 CN 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
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
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
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
WO-2008010448-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID AND PRODUCTION PROCESS ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-24 WO disclosed