SCHEMBL8716958

SCHEMBL8716958

CCCCCN(CC(=O)OCC)C(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.45
GAA P10253 1/20 0.44
F2 P00734 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLG P00747 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL8717107 0.97 GAA (0.45) CCKBRGAAF2ALDH1A1MEN1
SCHEMBL8685939 0.90 CCKBR (0.54) CCKBRF2ALDH1A1
SCHEMBL8690382 0.90 CCKBR (0.54) CCKBRF2ALDH1A1
SCHEMBL8719933 0.90 CCKBR (0.45) CCKBRGAAF2ALDH1A1MEN1
SCHEMBL8716935 0.88 GAA (0.46) GAAF2ALDH1A1MEN1KMT2A
SCHEMBL7327272 0.87 GAA (0.42) GAAF2ALDH1A1MEN1KMT2A
SCHEMBL8686247 0.87 CCKBR (0.50) CCKBRF2ALDH1A1
SCHEMBL8716462 0.85 GAA (0.49) GAAF2ALDH1A1MEN1KMT2A
SCHEMBL8721707 0.83 GAA (0.47) GAAF2ALDH1A1MEN1KMT2A
SCHEMBL7294689 0.81 F2 (0.47) GAAF2PLG

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