SCHEMBL8716462

SCHEMBL8716462

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
F2 P00734 8/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PLG P00747 2/20 0.43
F10 P00742 1/20 0.43
PLAT P00750 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
NPY5R Q15761 1/20 0.42

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
SCHEMBL8721707 0.88 GAA (0.47) GAAF2MEN1ALDH1A1KMT2A
SCHEMBL8716935 0.87 GAA (0.46) GAAF2MEN1ALDH1A1KMT2A
SCHEMBL8717107 0.86 GAA (0.45) GAAF2MEN1ALDH1A1KMT2A
SCHEMBL7294689 0.86 F2 (0.47) GAAF2PLGF10PLAT
SCHEMBL9004947 0.86 F2 (0.47) GAAF2PLGF10PLAT
SCHEMBL8720064 0.85 F2 (0.50) F2PLGF10PLATPRSS1
SCHEMBL8716958 0.85 CCKBR (0.45) GAAF2MEN1ALDH1A1KMT2A
SCHEMBL8717231 0.85 F2 (0.51) F2PLGF10PLATPRSS1
SCHEMBL8719611 0.84 F2 (0.51) F2PLGF10PLATPRSS1
SCHEMBL8716908 0.83 F2 (0.54) F2MEN1ALDH1A1KMT2APLG

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 3 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-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed