SCHEMBL8716935

SCHEMBL8716935

CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
F2 P00734 4/20 0.45
PLG P00747 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
NPY5R Q15761 1/20 0.42
PIN1 Q13526 1/20 0.41
POLB P06746 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL7334523 0.91 GAA (0.42) GAAF2PLGMEN1ALDH1A1
SCHEMBL8717107 0.88 GAA (0.45) GAAF2PLGMEN1ALDH1A1
SCHEMBL8716958 0.88 CCKBR (0.45) GAAF2PLGMEN1ALDH1A1
SCHEMBL8716462 0.87 GAA (0.49) GAAF2PLGMEN1ALDH1A1
SCHEMBL7304341 0.86 F2 (0.46) F2PLGALDH1A1PLATPOLB
SCHEMBL8719765 0.86 F2 (0.46) F2PLGALDH1A1PLATPOLB
SCHEMBL8721707 0.84 GAA (0.47) GAAF2PLGMEN1ALDH1A1
SCHEMBL7294689 0.83 F2 (0.47) GAAF2PLGPLAUPLAT
SCHEMBL9004947 0.83 F2 (0.47) GAAF2PLGPLAUPLAT
SCHEMBL8719933 0.82 CCKBR (0.45) GAAF2PLGMEN1ALDH1A1

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