SCHEMBL8733831

SCHEMBL8733831

C[C@H](Cc1ccc(OCP(=O)(O)C2CCCCC2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.45
CACNA1B Q00975 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
SRC P12931 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL8758152 0.84 ACACB (0.50) ACACB
SCHEMBL8729003 0.84 ACACB (0.49) ACACBITGB3ITGA2BHDAC8
SCHEMBL8729119 0.84 ACACB (0.49) ACACBITGB3ITGA2BHDAC8
SCHEMBL8732286 0.84 ACACB (0.49) ACACBITGB3ITGA2BHDAC8
SCHEMBL8729155 0.82 NAMPT (0.43)
SCHEMBL8729115 0.78 ADRB3 (0.49) ACACBITGB3ITGA2BHDAC8
SCHEMBL8729106 0.78 ADRB3 (0.49) ACACBITGB3ITGA2BHDAC8
SCHEMBL8727043 0.78 SLC6A4 (0.43) ACACB
SCHEMBL8733840 0.78 CTSK (0.40) ACACBHDAC8
SCHEMBL8729117 0.76 HDAC8 (0.47) ACACBITGB3ITGA2BHDAC8

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