SCHEMBL6957867

SCHEMBL6957867

CCC(=O)OC(=O)N(C)[C@@H]1O[C@@H](c2ccccc2Cl)c2cc(Cl)ccc2N(CC(C)(C)C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 5/20 0.43

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
SCHEMBL6961714 0.85 FDFT1 (0.48) FDFT1
SCHEMBL6959352 0.84 FDFT1 (0.43) FDFT1
SCHEMBL7083658 0.83 FDFT1 (0.49) FDFT1
Hydrochloric Acid SCHEMBL6962079 0.83 FDFT1 (0.48) FDFT1
SCHEMBL6949841 0.82 FDFT1 (0.46) FDFT1
SCHEMBL6957873 0.82 FDFT1 (0.47) FDFT1
SCHEMBL6957021 0.80 FDFT1 (0.46) FDFT1
SCHEMBL8559528 0.79 FDFT1 (0.53) FDFT1
SCHEMBL8559517 0.79 FDFT1 (0.53) FDFT1
SCHEMBL6961886 0.78 FDFT1 (0.46) FDFT1

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
EP-0567026-B1 4,1-Benzoxazepin derivatives as squalene synthase inhibitors and their use in the treatment of hypercholesteremia and as fungicides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
EP-0567026-A1 4,1-Benzoxazepin derivatives as squalene synthase inhibitors and their use in the treatment of hypercholesteremia and as fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP disclosed