SCHEMBL8727035

SCHEMBL8727035

CCCCCCP(=O)(O)COc1ccc(C[C@@H](C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HDAC8 Q9BY41 1/20 0.41
LPAR3 Q9UBY5 2/20 0.40
ADRB3 P13945 1/20 0.40
LPAR1 Q92633 1/20 0.40

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
SCHEMBL8758095 0.88 ACACB (0.50) ACACBLPAR3
SCHEMBL8729119 0.84 ACACB (0.49) ACACBITGB3ITGA2BHDAC8ADRB3
SCHEMBL8729003 0.84 ACACB (0.49) ACACBITGB3ITGA2BHDAC8ADRB3
SCHEMBL8732286 0.84 ACACB (0.49) ACACBITGB3ITGA2BHDAC8ADRB3
SCHEMBL15764483 0.84 ACACB (0.62) ACACBITGB3ITGA2B
SCHEMBL8726816 0.83 PPARA (0.47) ACACBITGB3ITGA2BHDAC8
SCHEMBL8726833 0.83 PPARA (0.47) ACACBITGB3ITGA2BHDAC8
SCHEMBL8726826 0.83 PPARA (0.47) ACACBITGB3ITGA2BHDAC8
SCHEMBL8729106 0.78 ADRB3 (0.49) ACACBITGB3ITGA2BHDAC8ADRB3
SCHEMBL8729115 0.78 ADRB3 (0.49) ACACBITGB3ITGA2BHDAC8ADRB3

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-5726165-A HYPOGLYCEMIC AGENTS; DIETETICS; GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-10 US disclosed