SCHEMBL8732292

SCHEMBL8732292

CC(Cc1ccc(OCO[PH](=O)OCOc2ccc(CC(C)NC(=O)OC(C)(C)C)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL8732428 0.81 HDAC8 (0.53) ACACBITGB3ITGA2BHDAC8
SCHEMBL15764483 0.81 ACACB (0.62) ACACBITGB3ITGA2B
SCHEMBL8732422 0.81 HDAC8 (0.53) ACACBITGB3ITGA2BHDAC8
SCHEMBL8732751 0.81 ACACB (0.58) ACACBITGB3ITGA2B
SCHEMBL12203612 0.81 ACACB (0.58) ACACBITGB3ITGA2B
SCHEMBL9650533 0.81 ITGB3 (0.57) ACACBITGB3ITGA2BHDAC8
SCHEMBL256796 0.81 ACACB (0.62) ACACB
SCHEMBL8729111 0.81 BCL2 (0.48) ACACBITGB3ITGA2BHDAC8
SCHEMBL8732743 0.80 ACACB (0.50) ACACBITGB3ITGA2BHDAC8
SCHEMBL9650513 0.80 ITGB3 (0.56) 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 2 patents. 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
WO-1996004234-A1 ARYLOXY ANDARYCTHIO PROPANOLAMINE DERIVATIVES USEFUL AS B3-ADRENORECEPTOR AGONISTS AND ANTAGONS OF THE B1 AND B2 ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1996-02-15 WO disclosed