SCHEMBL8733836

SCHEMBL8733836

CC(Cc1ccc(OCC2([PH](=O)O)CCCCC2)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
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
BCL2 P10415 1/20 0.39
PTPN1 P18031 2/20 0.39

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
SCHEMBL8758160 0.84 ACACB (0.47) ACACB
SCHEMBL8733934 0.82 NAMPT (0.48) PTPN1
SCHEMBL8727048 0.78 SLC6A4 (0.43) ACACB
SCHEMBL8732948 0.77 PTPN1 (0.48) ACACBITGB3ITGA2BHDAC8BCL2
SCHEMBL8732292 0.76 ACACB (0.48) ACACBITGB3ITGA2BHDAC8
SCHEMBL8729111 0.76 BCL2 (0.48) ACACBITGB3ITGA2BHDAC8BCL2
SCHEMBL8732743 0.75 ACACB (0.50) ACACBITGB3ITGA2BHDAC8
SCHEMBL19930027 0.75 BCL2 (0.59) ITGB3ITGA2BHDAC8BCL2PTPN1
SCHEMBL12532786 0.75 BCL2 (0.59) ITGB3ITGA2BHDAC8BCL2PTPN1
SCHEMBL8732428 0.75 HDAC8 (0.53) ACACBITGB3ITGA2BHDAC8BCL2

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