SCHEMBL8847181

SCHEMBL8847181

C=C(C)C(=O)NCCCOP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.43
LPAR2 Q9HBW0 7/20 0.43
LPAR1 Q92633 5/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ENPP2 Q13822 1/20 0.38
S1PR2 O95136 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR5 Q9H228 1/20 0.37
TSHR P16473 1/20 0.37
SAT1 P21673 1/20 0.37

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
Trimethylammonium SCHEMBL28395649 0.95 LPAR3 (0.40) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL16384827 0.94 LPAR3 (0.39) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL812188 0.93 LPAR3 (0.49) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL28707552 0.93 LPAR3 (0.49) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL3371494 0.93 LPAR3 (0.49) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL907411 0.89 LPAR2 (0.42) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL8975603 0.86 CA12 (0.40) CA12CA1CA2CA9TSHR
Trimethylammonium SCHEMBL23803149 0.85 LPAR2 (0.40) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL8975690 0.82 TSHR (0.38) CA12CA1CA2CA9TSHR
SCHEMBL15785207 0.82 SAT1 (0.44) LPAR3LPAR2LPAR1CA12CA1

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-5674668-A Photographic recording material AGFA-GEVAERT (DE) 1997-10-07 US disclosed