SCHEMBL8717263

SCHEMBL8717263

CCOC(=O)CN(C(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.47
F2 P00734 1/20 0.45
MMP2 P08253 14/20 0.44
MMP9 P14780 11/20 0.44
MMP13 P45452 5/20 0.44
MMP1 P03956 4/20 0.44
MMP3 P08254 4/20 0.44
MMP7 P09237 3/20 0.44
MMP8 P22894 4/20 0.43
ADAMTS5 Q9UNA0 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL7335977 0.90 MMP13 (0.43) ADAMTS4F2MMP2MMP9MMP13
SCHEMBL7294689 0.89 F2 (0.47) F2
SCHEMBL9004947 0.89 F2 (0.47) F2
SCHEMBL8716303 0.89 EEF2K (0.46) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL8721787 0.89 EEF2K (0.46) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL8720064 0.86 F2 (0.50) F2
SCHEMBL8717231 0.86 F2 (0.51) F2
SCHEMBL8719611 0.85 F2 (0.51) F2
SCHEMBL8719561 0.84 F2 (0.44) F2
SCHEMBL7330308 0.80 ALDH1A1 (0.42) F2MMP13

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