SCHEMBL11297495

SCHEMBL11297495

CCCCCCCCCCCCCCCOP(=O)(O)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.63
LPAR3 Q9UBY5 3/20 0.53
LPAR1 Q92633 2/20 0.53
LPAR2 Q9HBW0 2/20 0.53
ENPP2 Q13822 1/20 0.49
GGPS1 O95749 1/20 0.47
PLA2G2D Q9UNK4 1/20 0.46

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
SCHEMBL11317193 1.00 CETP (0.63) CETPLPAR3LPAR1LPAR2ENPP2
SCHEMBL11489051 0.98 CETP (0.61) CETPLPAR3LPAR1LPAR2ENPP2
SCHEMBL1246418 0.93 CETP (0.58) CETP
SCHEMBL11306425 0.86 MEN1 (0.55) CETP
SCHEMBL21357931 0.85 CETP (0.53) CETPLPAR3LPAR1LPAR2
SCHEMBL21359778 0.85 CETP (0.53) CETPLPAR3LPAR1LPAR2
SCHEMBL27727354 0.81 CA2 (0.51) CETP
SCHEMBL9300384 0.81 CETP (0.49) CETP
SCHEMBL8487370 0.81 CETP (0.49) CETPLPAR3LPAR1LPAR2
SCHEMBL10778039 0.81 CETP (0.68) CETPLPAR3LPAR1LPAR2PLA2G2D

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
WO-2012100018-A1 INHIBITORS OF AUTOTAXIN UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 WO claimed