SCHEMBL923097

SCHEMBL923097

CCn1ncc2cc(-c3cc(CCC(=O)O)cc(NC)c3OC3Cc4ccccc4C3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.37
FFAR4 Q5NUL3 4/20 0.34
AR P10275 1/20 0.34
CACNA1H O95180 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
KMO O15229 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
BRD4 O60885 1/20 0.32
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
GCGR P47871 1/20 0.32

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
SCHEMBL924797 0.90 AR (0.44) FFAR4ARHDAC8BRD4
SCHEMBL3884090 0.89 CACNA1H (0.40) RAD51FFAR4CACNA1HHDAC8
SCHEMBL923122 0.89 RAD51 (0.38) RAD51FFAR4ARCACNA1HHDAC3
SCHEMBL3883995 0.86 RAD51 (0.36) RAD51FFAR4CACNA1HKMONR1H2
SCHEMBL3883989 0.86 RAD51 (0.36) RAD51FFAR4CACNA1HKMONR1H2
SCHEMBL3892903 0.85 FFAR4 (0.42) RAD51FFAR4CACNA1HKMONR1H2
SCHEMBL3883868 0.82 CCNC (0.36) RAD51ARCACNA1HHDAC3HDAC1
SCHEMBL924296 0.82 TRPA1 (0.41)
SCHEMBL923426 0.82 RAD51 (0.35) RAD51FFAR4CACNA1HHDAC3HDAC1
SCHEMBL925767 0.81 RAD51 (0.35) RAD51FFAR4CACNA1HHDAC3HDAC1

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