SCHEMBL3884652

SCHEMBL3884652

CC(Cc1ccc(OCc2ccc3ccccc3c2)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
ENPP2 Q13822 1/20 0.44
PTGS2 P35354 1/20 0.42
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
FFAR1 O14842 2/20 0.41
MAOB P27338 1/20 0.41
PLA2G10 O15496 3/20 0.39
PLA2G2A P14555 3/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G5 P39877 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
PLA2G12B Q9BX93 1/20 0.39
PLA2G12A Q9BZM1 1/20 0.39
PLA2G2F Q9BZM2 1/20 0.39
PLA2G3 Q9NZ20 1/20 0.39
PLA2G2E Q9NZK7 1/20 0.39

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
SCHEMBL3890174 0.92 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL3884238 0.92 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL3894495 0.91 PTGS2 (0.41) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL3890147 0.88 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL3886278 0.88 PTGER1 (0.45) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL3891583 0.87 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL3885357 0.87 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL3891271 0.87 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2ADAMTS4
SCHEMBL3882813 0.87 MAOB (0.42) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL3884031 0.87 PTGS2 (0.42) PTGER1PTGER4PTGER3PTGER2ENPP2

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