SCHEMBL3886465

SCHEMBL3886465

Cc1cc(C)cc(COc2ccc(CC(C)C(=O)O)cc2-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
ENPP2 Q13822 1/20 0.41
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 2/20 0.40
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
MCL1 Q07820 1/20 0.37
MAP3K11 Q16584 1/20 0.36
NOTUM Q6P988 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
PLA2G10 O15496 3/20 0.36
PLA2G2A P14555 3/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G5 P39877 1/20 0.36

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
SCHEMBL3886278 0.93 PTGER1 (0.45) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3890147 0.92 PTGER1 (0.46) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3890174 0.90 PTGER1 (0.53) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3891017 0.90 PTGS2 (0.43) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3884238 0.89 PTGER1 (0.52) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3891560 0.89 PTGER1 (0.44) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3883264 0.89 PTGER1 (0.46) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3884031 0.87 PTGS2 (0.42) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3882813 0.87 MAOB (0.42) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3884652 0.87 PTGER1 (0.45) PTGS2PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed