SCHEMBL8716864

SCHEMBL8716864

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
F2 P00734 6/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACACB O00763 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KAT6A Q92794 1/20 0.38
LARS1 Q9P2J5 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
SCHEMBL7326146 0.89 GAA (0.45) GAAF2ALDH1A1MEN1KMT2A
SCHEMBL7334523 0.86 GAA (0.42) GAAF2ALDH1A1MEN1KMT2A
SCHEMBL7302360 0.86 ACACB (0.45) GAAF2ACACBPLGPLAU
SCHEMBL7327272 0.86 GAA (0.42) GAAF2ALDH1A1MEN1KMT2A
SCHEMBL8947835 0.85 GAA (0.42) GAAF2ALDH1A1MEN1KMT2A
SCHEMBL7332989 0.85 F2 (0.47) F2ACACBPLGPLAT
SCHEMBL7332615 0.85 F2 (0.49) F2PLGPLAT
SCHEMBL8719583 0.84 F2 (0.48) F2PLGPLAT
SCHEMBL8947773 0.83 GAA (0.40) GAAF2ALDH1A1MEN1KMT2A
SCHEMBL7395628 0.83 GAA (0.48) GAAF2ALDH1A1MEN1KMT2A

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