SCHEMBL5752989

SCHEMBL5752989

CCOC(=O)C=Cc1ccc(-c2ncc[nH]2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.56
CDK8 P49336 6/20 0.56
CDK19 Q9BWU1 1/20 0.46
P2RY12 Q9H244 1/20 0.45
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
ALOX5 P09917 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
FDPS P14324 1/20 0.41
CNR2 P34972 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL5752674 0.85 CCNC (0.51) CCNCCDK8ADRA2AADRA2BADRA2C
SCHEMBL5751149 0.80 PDE3B (0.44) CCNCCDK8P2RY12ADRA2AADRA2B
SCHEMBL6552271 0.77 TTR (0.64) CCNCCDK8P2RY12TTRDPP4
SCHEMBL31408755 0.77 TTR (0.64) CCNCCDK8P2RY12TTRDPP4
SCHEMBL4866988 0.77 TTR (0.64) CCNCCDK8P2RY12TTRDPP4
SCHEMBL2906674 0.77 TTR (0.64) CCNCCDK8P2RY12TTRDPP4
SCHEMBL8541449 0.76 CCNC (0.48) CCNCCDK8CDK19P2RY12TTR
SCHEMBL3683531 0.76 CCNC (0.57) CCNCCDK8CDK19P2RY12TTR
SCHEMBL3683530 0.76 CCNC (0.57) CCNCCDK8CDK19P2RY12TTR
SCHEMBL3881194 0.73 CCNC (0.49) CCNCCDK8CDK19TTRDPP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed