SCHEMBL8716997

SCHEMBL8716997

CCOC(=O)C[C@@H](CC)N(C(=O)[C@H](CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc2ccccc2c1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
F2 P00734 11/20 0.43
GAA P10253 1/20 0.41
F10 P00742 2/20 0.40
PLAT P00750 2/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL9163451 1.00 ACACB (0.45) ACACBF2GAAF10PLAT
SCHEMBL8717134 0.89 ACACB (0.44) ACACBF2F10PLATPLG
SCHEMBL7302360 0.86 ACACB (0.45) ACACBF2GAAF10PLAT
SCHEMBL7303910 0.85 ACACB (0.43) ACACBF2GAAF10PLAT
SCHEMBL7332989 0.84 F2 (0.47) ACACBF2F10PLATPLG
SCHEMBL8947773 0.83 GAA (0.40) ACACBF2GAAF10PLAT
SCHEMBL7332615 0.83 F2 (0.49) F2F10PLATPLGPRSS1
SCHEMBL8719583 0.82 F2 (0.48) F2F10PLATPLGPRSS1
SCHEMBL7326146 0.81 GAA (0.45) ACACBF2GAAPLATPLG
SCHEMBL8716864 0.81 GAA (0.45) ACACBF2GAAPLATPLG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed