SCHEMBL9344754

SCHEMBL9344754

CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC(=O)CC(C(=O)NC(C)O)S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.51
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
TRPV1 Q8NER1 2/20 0.40
DGKA P23743 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CETP P11597 1/20 0.38
DEGS1 O15121 1/20 0.38
LPAR1 Q92633 6/20 0.37
LPAR4 Q99677 3/20 0.37
LPAR2 Q9HBW0 3/20 0.37
LPAR3 Q9UBY5 3/20 0.37
ENPP2 Q13822 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
CES2 O00748 1/20 0.37
LPAR6 P43657 1/20 0.37
CNR2 P34972 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL3465910 0.99 FAAH (0.52) FAAHFFAR1FFAR4TRPV1DGKA
SCHEMBL8993889 0.87 FFAR1 (0.57) FAAHFFAR1FFAR4TRPV1DGKA
SCHEMBL4853542 0.86 MAPT (0.40) FAAHDGKA
SCHEMBL3824079 0.85 MAPT (0.41) FAAHDGKA
Di(Hydroxyethyl)Ether SCHEMBL29152618 0.83 FFAR1 (0.49) FAAHFFAR1FFAR4TRPV1DGKA
Di(Hydroxyethyl)Ether SCHEMBL28582376 0.83 FFAR1 (0.49) FAAHFFAR1FFAR4TRPV1DGKA
SCHEMBL28057111 0.82 FFAR1 (0.72) FAAHFFAR1FFAR4TRPV1DGKA
SCHEMBL28322561 0.82 FFAR1 (0.72) FAAHFFAR1FFAR4TRPV1DGKA
SCHEMBL25236158 0.81 FFAR1 (0.71) FAAHFFAR1FFAR4TRPV1DGKA
SCHEMBL9706867 0.81 FFAR1 (0.71) FAAHFFAR1FFAR4TRPV1DGKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385796-B1 Detergent bar UNILEVER PLC (GB) 1994-07-20 EP disclosed
US-4988453-A DETERGENT BARS FORMED BY MELTING AND SOLIDIFICATION OF SOAPS WITH MONOHYDRIC AND DIHYDRIC ALCOHOLS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-01-29 US disclosed
EP-0385796-A2 Detergent bar UNILEVER PLC (GB) 1990-09-05 EP disclosed