SCHEMBL8717243

SCHEMBL8717243

CCOC(=O)CCN(C(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccnc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
TSHR P16473 1/20 0.38
ITGAV P06756 1/20 0.38
F10 P00742 1/20 0.37
TBXAS1 P24557 3/20 0.36
F2 P00734 1/20 0.36
GAA P10253 1/20 0.36
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
HIF1A Q16665 1/20 0.36
CASP3 P42574 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNA5 P22460 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7301032 0.90 TSHR (0.36) SLC1A3SLC1A2SLC1A1TSHRITGAV
SCHEMBL8721875 0.82 F2 (0.45) F10F2HSD17B10
SCHEMBL8720126 0.82 EEF2K (0.44) F10F2HSD17B10
SCHEMBL8719579 0.80 L3MBTL1 (0.41) F10GAAHSD17B10
SCHEMBL8717115 0.79 F10 (0.32) F10
SCHEMBL8716861 0.79 MMP2 (0.34) F10F2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7306625 0.78 F2 (0.43) F2GAA
SCHEMBL8717263 0.77 ADAMTS4 (0.47) F2
SCHEMBL7299072 0.76 F2 (0.38) F10F2GAA
SCHEMBL7294689 0.74 F2 (0.47) F10F2GAA

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