SCHEMBL8728998

SCHEMBL8728998

CC(C)(C)OC(=O)NCCc1ccc(OCP(=O)(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.48
CA1 P00915 7/20 0.48
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
NAMPT P43490 1/20 0.47
PTPN1 P18031 2/20 0.46
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ACACB O00763 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.42

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
SCHEMBL8230392 0.85 GLA (0.47) CA2CA1CA12CA9NAMPT
SCHEMBL27741033 0.84 ACACB (0.59) CA2CA1CA12CA9NAMPT
SCHEMBL8729155 0.83 NAMPT (0.43) CA2CA1CA12CA9NAMPT
SCHEMBL23291155 0.83 CA1 (0.55) CA2CA1CA12CA9NAMPT
SCHEMBL1541945 0.83 CA1 (0.64) CA2CA1CA12CA9NAMPT
SCHEMBL19003451 0.82 ACACB (0.61) CA2CA1CA12CA9NAMPT
SCHEMBL4427701 0.82 PTPN1 (0.52) CA2CA1CA12CA9NAMPT
SCHEMBL2187363 0.82 CA1 (0.50) CA2CA1CA12CA9NAMPT
SCHEMBL26964370 0.82 CA1 (0.56) CA2CA1CA12CA9NAMPT
SCHEMBL27460037 0.81 PTPN1 (0.47) CA2CA1CA12CA9NAMPT

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
CN-1159797-A Aryloxy and arylthiopropanolamine derivative suseful as beta 3-adrenoreceptor agonists and antagonists of the beta 1 and beta 2-adrenoreceptors and pharmaceutical composition thereof SMITHKLINE BEECHAM PLC (GB) 1997-09-17 CN disclosed