SCHEMBL3890147

SCHEMBL3890147

Cc1cccc(COc2ccc(CC(C)C(=O)O)cc2-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
FFAR1 O14842 3/20 0.44
ENPP2 Q13822 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
PTGS2 P35354 1/20 0.41
PLA2G10 O15496 3/20 0.40
PLA2G2A P14555 3/20 0.40
MRGPRX4 Q96LA9 3/20 0.40
PLA2G1B P04054 1/20 0.40
PLA2G5 P39877 1/20 0.40
PLA2G2C Q5R387 1/20 0.40
PLA2G12B Q9BX93 1/20 0.40
PLA2G12A Q9BZM1 1/20 0.40
PLA2G2F Q9BZM2 1/20 0.40
PLA2G3 Q9NZ20 1/20 0.40
PLA2G2E Q9NZK7 1/20 0.40
PLA2G2D Q9UNK4 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
SCHEMBL3886465 0.92 PTGS2 (0.43) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL3890174 0.92 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL3893365 0.91 PTGS2 (0.40) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL3886278 0.91 PTGER1 (0.45) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL3891583 0.90 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL3885357 0.90 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL3884238 0.89 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL3884652 0.88 PTGER1 (0.45) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL3882813 0.86 MAOB (0.42) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL3884031 0.86 PTGS2 (0.42) PTGER1PTGER4PTGER3PTGER2FFAR1

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