SCHEMBL7089871

SCHEMBL7089871

COc1cccc([C@H]2O[C@H](CC(=O)[C@H](CN)C(=O)O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 18/20 0.81

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
SCHEMBL4682959 0.89 FDFT1 (1.00) FDFT1
SCHEMBL7255787 0.89 FDFT1 (1.00) FDFT1
SCHEMBL7255485 0.89 FDFT1 (1.00) FDFT1
SCHEMBL13893090 0.89 FDFT1 (1.00) FDFT1
SCHEMBL7089880 0.87 FDFT1 (0.83) FDFT1
SCHEMBL7249620 0.86 FDFT1 (1.00) FDFT1
SCHEMBL7248915 0.86 FDFT1 (1.00) FDFT1
SCHEMBL7249747 0.86 FDFT1 (0.76) FDFT1
SCHEMBL4938558 0.85 FDFT1 (0.83) FDFT1
SCHEMBL4935484 0.85 FDFT1 (0.83) 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-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO disclosed