SCHEMBL8729111

SCHEMBL8729111

CC(Cc1ccc(OCc2ccc([PH](=O)O)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.48
PTPN1 P18031 2/20 0.47
ACACB O00763 12/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
REN P00797 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ADAMTS4 O75173 1/20 0.41
PSMB10 P40306 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
SCHEMBL12532786 0.86 BCL2 (0.59) BCL2PTPN1ITGB3ITGA2BREN
SCHEMBL19930027 0.86 BCL2 (0.59) BCL2PTPN1ITGB3ITGA2BREN
SCHEMBL8732948 0.83 PTPN1 (0.48) BCL2PTPN1ACACBITGB3ITGA2B
SCHEMBL8758574 0.83 ACACB (0.51) ACACB
SCHEMBL8732292 0.81 ACACB (0.48) ACACBITGB3ITGA2BHDAC8
SCHEMBL8732428 0.79 HDAC8 (0.53) BCL2PTPN1ACACBITGB3ITGA2B
SCHEMBL15764483 0.79 ACACB (0.62) ACACBITGB3ITGA2B
SCHEMBL8732422 0.79 HDAC8 (0.53) BCL2PTPN1ACACBITGB3ITGA2B
SCHEMBL9627603 0.78 MAOB (0.56)
SCHEMBL12203612 0.78 ACACB (0.58) ACACBITGB3ITGA2B

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