SCHEMBL8993889

SCHEMBL8993889

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.57
FFAR4 Q5NUL3 1/20 0.57
FAAH O00519 3/20 0.51
DGKA P23743 1/20 0.47
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LPAR1 Q92633 8/20 0.43
LPAR4 Q99677 4/20 0.43
LPAR2 Q9HBW0 4/20 0.43
LPAR3 Q9UBY5 4/20 0.43
ENPP2 Q13822 2/20 0.43
LPAR5 Q9H1C0 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
CES2 O00748 1/20 0.43
LPAR6 P43657 1/20 0.43
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKCA P17252 1/20 0.41

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
Di(Hydroxyethyl)Ether SCHEMBL29152618 0.92 FFAR1 (0.49) FFAR1FFAR4FAAHDGKANFKB1
Di(Hydroxyethyl)Ether SCHEMBL28582376 0.92 FFAR1 (0.49) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL27534701 0.90 DGKA (0.50) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL6270899 0.89 DGKA (0.49) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL5275136 0.89 DGKA (0.49) FAAHDGKALPAR1LPAR4LPAR2
SCHEMBL3465910 0.88 FAAH (0.52) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL9344754 0.87 FAAH (0.51) FFAR1FFAR4FAAHDGKANFKB1
Monoethanolamine SCHEMBL1257736 0.86 FFAR1 (0.54) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL270143 0.86 FFAR1 (0.74) FFAR1FFAR4FAAHDGKANFKB1
SCHEMBL21314220 0.86 FFAR1 (0.74) FFAR1FFAR4FAAHDGKANFKB1

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
US-5550241-A Adducts of cyclic carbonyl monomers and substituted alkens EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-08-27 US disclosed
EP-0576844-A1 Redispersible polymer powders using polyvinyl pyrrolidone as a dispersing aid AIR PRODUCTS AND CHEMICALS, INC. (US) 1994-01-05 EP disclosed
US-5252704-A Redispersible polymer powders using polyvinyl pyrrolidone as a dispersing aid AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-10-12 US disclosed