SCHEMBL2493841

SCHEMBL2493841

CCCCCCCCP(=O)(O)CCC1CCC(OP(=O)(CCCCCCCC)C2CCC(CCP(=O)(O)CCCCCCCC)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.37
LPAR2 Q9HBW0 1/20 0.37
S1PR1 P21453 6/20 0.36
S1PR3 Q99500 6/20 0.36
S1PR5 Q9H228 5/20 0.36
S1PR4 O95977 4/20 0.36
S1PR2 O95136 2/20 0.36
CETP P11597 1/20 0.36
NAAA Q02083 1/20 0.34
GABBR2 O75899 1/20 0.34
GABRR1 P24046 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
TERT O14746 1/20 0.33
UCHL3 P15374 1/20 0.33
AKT1 P31749 1/20 0.33
MAPK14 Q16539 1/20 0.33
SMPD1 P17405 1/20 0.31
LPAR1 Q92633 1/20 0.31

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 0.82 LPAR3 (0.42) LPAR3LPAR2S1PR1S1PR3S1PR5
SCHEMBL98287 0.82 LPAR3 (0.42) LPAR3LPAR2S1PR1S1PR3S1PR5
SCHEMBL9485449 0.74 S1PR1 (0.43) LPAR3LPAR2S1PR1S1PR3S1PR5
SCHEMBL9485299 0.74 S1PR1 (0.43) LPAR3LPAR2S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL29133225 0.73 NAAA (0.44) LPAR3LPAR2S1PR1S1PR3S1PR5
SCHEMBL19974194 0.72 CYP1A2 (0.50) LPAR3LPAR2S1PR1S1PR3S1PR5
SCHEMBL18893738 0.70 CYP1A2 (0.53) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL28857191 0.69 CYP1A2 (0.52) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL20575086 0.69 CYP1A2 (0.52) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL2493838 0.69 GGPS1 (0.39) LPAR3LPAR2S1PR1S1PR3S1PR5

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