SCHEMBL2493838

SCHEMBL2493838

CCCCCCCCP(=O)(O)CCC1CCC(C(CCCCCCC)(C2CCC(CCP(=O)(O)CCCCCCCC)CC2)[PH](=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 6/20 0.39
LPAR3 Q9UBY5 4/20 0.35
LPAR2 Q9HBW0 1/20 0.35
FDPS P14324 9/20 0.35
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CETP P11597 1/20 0.35
SMPD1 P17405 2/20 0.34
LPAR1 Q92633 1/20 0.34

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
SCHEMBL12083488 0.74 LPAR3 (0.42) GGPS1LPAR3LPAR2FDPSS1PR2
SCHEMBL98287 0.74 LPAR3 (0.42) GGPS1LPAR3LPAR2FDPSS1PR2
SCHEMBL19974194 0.70 CYP1A2 (0.50) LPAR3LPAR2S1PR2S1PR4S1PR1
SCHEMBL2493841 0.69 LPAR3 (0.37) LPAR3LPAR2S1PR2S1PR4S1PR1
SCHEMBL673612 0.69 LPAR3 (0.68) GGPS1LPAR3LPAR2FDPSCETP
SCHEMBL673871 0.69 LPAR3 (0.68) GGPS1LPAR3LPAR2FDPSCETP
SCHEMBL672674 0.69 LPAR3 (0.68) GGPS1LPAR3LPAR2FDPSCETP
SCHEMBL673844 0.69 LPAR3 (0.68) GGPS1LPAR3LPAR2FDPSCETP
SCHEMBL673002 0.69 LPAR3 (0.68) GGPS1LPAR3LPAR2FDPSCETP
SCHEMBL672804 0.69 LPAR3 (0.68) GGPS1LPAR3LPAR2FDPSCETP

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
US-8030435-B2 Solid state polymerization process for polyester with phosphinic acid compounds CIBA CORPORATION (US) 2011-10-04 US disclosed