SCHEMBL3883264

SCHEMBL3883264

CC(Cc1ccc(OCc2ccc(F)cc2)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
PTGS2 P35354 1/20 0.43
ENPP2 Q13822 1/20 0.43
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
PAX8 Q06710 1/20 0.39
XDH P47989 2/20 0.39
TNIK Q9UKE5 1/20 0.38
CNR2 P34972 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
LTB4R Q15722 1/20 0.37
FEN1 P39748 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3884238 0.91 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3886278 0.91 PTGER1 (0.45) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3885357 0.91 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3884031 0.91 PTGS2 (0.42) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3891560 0.90 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3881961 0.90 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3885366 0.90 PPARD (0.46) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3893638 0.89 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3886465 0.89 PTGS2 (0.43) PTGER1PTGER4PTGER3PTGER2PTGS2

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