SCHEMBL8720064

SCHEMBL8720064

CCOC(=O)CN(C(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc2ccccc2c1)C1CCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.50
F10 P00742 2/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47

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
SCHEMBL8717231 0.99 F2 (0.51) F2F10PLGPLATPRSS1
SCHEMBL8719611 0.98 F2 (0.51) F2F10PLGPLATPRSS1
SCHEMBL9004947 0.97 F2 (0.47) F2F10PLGPLATPRSS1
SCHEMBL7294689 0.97 F2 (0.47) F2F10PLGPLATPRSS1
SCHEMBL7332989 0.90 F2 (0.47) F2F10PLGPLATPRSS1
SCHEMBL7332615 0.89 F2 (0.49) F2F10PLGPLATPRSS1
SCHEMBL8719583 0.88 F2 (0.48) F2F10PLGPLATPRSS1
SCHEMBL7302360 0.87 ACACB (0.45) F2F10PLGPLATPRSS1
SCHEMBL8717263 0.86 ADAMTS4 (0.47) F2
SCHEMBL8716462 0.85 GAA (0.49) F2F10PLGPLATPRSS1

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