SCHEMBL9278680

SCHEMBL9278680

COc1ccccc1[C@@H]1O[C@@H](CC(=O)N[C@@H](C)C(=O)O)C(=O)N(CC(C)(C)C)c2ccc(Cl)cc21

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 16/20 0.78

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
SCHEMBL9286691 0.93 FDFT1 (0.89) FDFT1
SCHEMBL4118628 0.93 FDFT1 (0.89) FDFT1
SCHEMBL9283811 0.93 FDFT1 (0.89) FDFT1
SCHEMBL9279242 0.92 FDFT1 (0.66) FDFT1
SCHEMBL9285689 0.92 FDFT1 (0.66) FDFT1
SCHEMBL6953604 0.88 FDFT1 (0.75) FDFT1
SCHEMBL6953603 0.88 FDFT1 (0.75) FDFT1
SCHEMBL6953607 0.88 FDFT1 (0.75) FDFT1
SCHEMBL8501162 0.88 FDFT1 (0.61) FDFT1
SCHEMBL6964420 0.88 FDFT1 (0.60) 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