SCHEMBL8719561

SCHEMBL8719561

CCOC(=O)CN(C(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccc2ccccc12)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.44
CASP1 P29466 3/20 0.44
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
F10 P00742 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PLAU P00749 1/20 0.39
CNR2 P34972 1/20 0.39
CCR10 P46092 1/20 0.38
NR1D1 P20393 1/20 0.38
SLC6A9 P48067 1/20 0.38

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
SCHEMBL7338481 0.90 F2 (0.43) F2SLC1A3SLC1A2SLC1A1F10
SCHEMBL8716492 0.85 SLC16A3 (0.37) F2CASP1
SCHEMBL7294689 0.85 F2 (0.47) F2F10PLAU
SCHEMBL9004947 0.85 F2 (0.47) F2F10PLAU
SCHEMBL8717263 0.84 ADAMTS4 (0.47) F2
SCHEMBL8720064 0.82 F2 (0.50) F2F10
SCHEMBL8717231 0.81 F2 (0.51) F2F10
SCHEMBL8719611 0.81 F2 (0.51) F2F10
SCHEMBL8716303 0.81 EEF2K (0.46) SLC1A2F10ITGB3ITGA2B
SCHEMBL8721787 0.79 EEF2K (0.46) SLC1A3SLC1A2SLC1A1

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