SCHEMBL9286559

SCHEMBL9286559

COC(=O)[C@H](CC(C)C)NC(=O)C[C@@H]1O[C@@H](c2ccc(OC)cc2OC)c2cc(Cl)ccc2N(CC(C)(C)C)C1=O

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
SCHEMBL9282641 1.00 FDFT1 (0.64) FDFT1
SCHEMBL7249155 0.89 FDFT1 (0.80) FDFT1
SCHEMBL7249151 0.89 FDFT1 (0.80) FDFT1
SCHEMBL8501047 0.85 FDFT1 (0.68) FDFT1
SCHEMBL8504019 0.85 FDFT1 (0.68) FDFT1
SCHEMBL4111102 0.85 FDFT1 (0.68) FDFT1
SCHEMBL7250455 0.84 FDFT1 (0.90) FDFT1
SCHEMBL7250453 0.84 FDFT1 (0.90) FDFT1
SCHEMBL8558822 0.83 FDFT1 (0.56) FDFT1
SCHEMBL8558811 0.83 FDFT1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995021834-A1 OPTICALLY ACTIVE 4,1-BENZOXAZEPINE DERIVATIVES USEFUL AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-17 WO disclosed