SCHEMBL11325869

SCHEMBL11325869

CCCCC/C=C/C/C=C/CCCCCCCCOC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)O

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 8/20 0.78
▸ LPAR1 Q92633 8/20 0.78
▸ S1PR1 P21453 1/20 0.60
▸ LPAR2 Q9HBW0 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ CNR2 P34972 1/20 0.57
▸ LPAR5 Q9H1C0 1/20 0.56
▸ ENPP2 Q13822 1/20 0.54

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
SCHEMBL11325872 1.00 LPAR3 (0.78) LPAR3LPAR1S1PR1LPAR2ALDH1A1
SCHEMBL31281823 0.99 LPAR3 (0.75) LPAR3LPAR1S1PR1LPAR2ALDH1A1
SCHEMBL23148274 0.96 LPAR3 (0.84) LPAR3LPAR1S1PR1LPAR2ALDH1A1
SCHEMBL29989870 0.96 LPAR3 (0.84) LPAR3LPAR1S1PR1LPAR2ALDH1A1
SCHEMBL30583104 0.96 LPAR3 (0.84) LPAR3LPAR1S1PR1LPAR2ALDH1A1
Monoethanolamine SCHEMBL29057722 0.89 LPAR3 (0.72) LPAR3LPAR1S1PR1LPAR2ALDH1A1
SCHEMBL31198159 0.88 LPAR3 (1.00) LPAR3LPAR1LPAR2LPAR5ENPP2
SCHEMBL2813163 0.88 LPAR3 (1.00) LPAR3LPAR1LPAR2LPAR5ENPP2
SCHEMBL5055004 0.88 LPAR3 (1.00) LPAR3LPAR1LPAR2LPAR5ENPP2
SCHEMBL31439420 0.88 LPAR3 (1.00) LPAR3LPAR1LPAR2LPAR5ENPP2

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-4291024-A ANTICANCER AGENTS UNIVERSITY OF RHODE ISLAND 1981-09-22 — — US disclosed
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