SCHEMBL6958545

SCHEMBL6958545

COc1cc(OC)c([C@@H]2O[C@@H](CC(=O)O)C(=O)N(CC(C)(C)C)c3ccc(Cl)cc32)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 18/20 0.64

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
SCHEMBL6958560 1.00 FDFT1 (0.64) FDFT1
SCHEMBL6958554 1.00 FDFT1 (0.64) FDFT1
SCHEMBL8501047 0.90 FDFT1 (0.68) FDFT1
SCHEMBL4111102 0.90 FDFT1 (0.68) FDFT1
SCHEMBL8504019 0.90 FDFT1 (0.68) FDFT1
SCHEMBL6953607 0.87 FDFT1 (0.75) FDFT1
SCHEMBL6953604 0.87 FDFT1 (0.75) FDFT1
SCHEMBL6953603 0.87 FDFT1 (0.75) FDFT1
SCHEMBL8503968 0.86 FDFT1 (0.64) FDFT1
SCHEMBL8503973 0.86 FDFT1 (0.64) 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 4 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
US-5885979-A SQUALENE SYNTHETASE INHIBITOR TREATING OR PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-23 US disclosed
US-5726306-A INHIBITORS OF SQUALENE SYNTHETASE AND FUNGAL GROWTH; USEFUL IN TREATING AND PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US 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