SCHEMBL8947773

SCHEMBL8947773

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ACACB O00763 1/20 0.39
F2 P00734 7/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
F10 P00742 1/20 0.35
KAT6A Q92794 1/20 0.34
NPY5R Q15761 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
SCHEMBL8947835 0.86 GAA (0.42) GAAACACBF2MEN1ALDH1A1
SCHEMBL8716864 0.83 GAA (0.45) GAAACACBF2MEN1ALDH1A1
SCHEMBL8716997 0.83 ACACB (0.45) GAAACACBF2PLGPLAU
SCHEMBL9163451 0.83 ACACB (0.45) GAAACACBF2PLGPLAU
SCHEMBL7326146 0.80 GAA (0.45) GAAACACBF2MEN1ALDH1A1
SCHEMBL7395628 0.78 GAA (0.48) GAAACACBF2MEN1ALDH1A1
SCHEMBL7302360 0.78 ACACB (0.45) GAAACACBF2PLGPLAU
SCHEMBL7327272 0.78 GAA (0.42) GAAACACBF2MEN1ALDH1A1
SCHEMBL7334523 0.78 GAA (0.42) GAAACACBF2MEN1ALDH1A1
SCHEMBL7332989 0.77 F2 (0.47) ACACBF2PLGPLATF10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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