SCHEMBL6988181

SCHEMBL6988181

COc1cccc([C@H]2O[C@H](CC(=O)Nc3ncc(OC(C)=O)s3)C(=O)N(CC(C)(C)COC(C)=O)c3ccc(Cl)cc32)c1OC

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 18/20 0.63

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
SCHEMBL7250434 0.92 FDFT1 (0.65) FDFT1
SCHEMBL7247999 0.90 FDFT1 (0.60) FDFT1
SCHEMBL7250735 0.87 FDFT1 (0.64) FDFT1
SCHEMBL4117554 0.85 FDFT1 (0.70) FDFT1
SCHEMBL7255821 0.85 FDFT1 (0.60) FDFT1
SCHEMBL7249613 0.85 FDFT1 (0.65) FDFT1
SCHEMBL7255476 0.85 FDFT1 (0.61) FDFT1
SCHEMBL7250038 0.85 FDFT1 (0.72) FDFT1
SCHEMBL4927392 0.85 FDFT1 (0.77) FDFT1
SCHEMBL7250351 0.84 FDFT1 (0.73) 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