SCHEMBL10811357

SCHEMBL10811357

CCCCCCCCCCCCCCOc1ccc(CC(COP(O)OCCCNC)OC(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 2/20 0.42
▸ S1PR1 P21453 2/20 0.42
▸ S1PR3 Q99500 2/20 0.42
▸ LPAR2 Q9HBW0 2/20 0.42
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ ACACB O00763 1/20 0.40
▸ FAAH O00519 7/20 0.39
▸ PLA2G4B P0C869 2/20 0.38
▸ ITGB1 P05556 2/20 0.38
▸ ITGA4 P13612 2/20 0.38

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
SCHEMBL10809299 0.98 S1PR2 (0.42) S1PR2S1PR1S1PR3LPAR2ITGB3
SCHEMBL10814041 0.98 S1PR2 (0.42) S1PR2S1PR1S1PR3LPAR2ITGB3
SCHEMBL10806143 0.95 S1PR2 (0.43) S1PR2S1PR1S1PR3LPAR2ITGB3
SCHEMBL10812483 0.95 S1PR2 (0.43) S1PR2S1PR1S1PR3LPAR2ITGB3
SCHEMBL10809126 0.91 S1PR1 (0.41) S1PR2S1PR1S1PR3LPAR2ITGB3
SCHEMBL10805694 0.91 S1PR1 (0.41) S1PR2S1PR1S1PR3LPAR2ITGB3
SCHEMBL10808513 0.89 CYP2D6 (0.43) PLA2G4B
SCHEMBL10804723 0.87 CYP2D6 (0.43) PLA2G4B
SCHEMBL10810230 0.86 S1PR1 (0.42) S1PR2S1PR1S1PR3LPAR2ITGB3
SCHEMBL10807919 0.86 S1PR1 (0.42) S1PR2S1PR1S1PR3LPAR2ITGB3

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-4640913-A Phosphocholine derivatives having antihypertensive action AMERICAN CYANAMID COMPANY (US) 1987-02-03 — — US disclosed
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