SCHEMBL8947603

SCHEMBL8947603

CC(C)(C)OC(=O)NN=CN1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.52
ACACB O00763 1/20 0.44

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
SCHEMBL8947639 0.92 F2 (0.55) F2
SCHEMBL8947771 0.91 F2 (0.51) F2
SCHEMBL8947591 0.87 F2 (0.60) F2
Hydrochloric Acid SCHEMBL8947676 0.87 F2 (0.61) F2
Hydrochloric Acid SCHEMBL8947789 0.87 F2 (0.61) F2
Hydrochloric Acid SCHEMBL8947627 0.87 F2 (0.61) F2
SCHEMBL8947607 0.87 F2 (0.59) F2
SCHEMBL7304156 0.86 F2 (0.59) F2
SCHEMBL8948095 0.85 F2 (0.61) F2
SCHEMBL7307422 0.83 F2 (0.55) F2

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