SCHEMBL8504677

SCHEMBL8504677

CCOC(=O)C[C@@H]1O[C@@H](c2ccc(OCc3ccccc3)cc2OC)c2cc(Cl)ccc2N(CC(C)(C)C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 18/20 0.54

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
SCHEMBL8504684 1.00 FDFT1 (0.54) FDFT1
SCHEMBL8501224 0.92 FDFT1 (0.54) FDFT1
SCHEMBL8501232 0.92 FDFT1 (0.54) FDFT1
SCHEMBL8558811 0.90 FDFT1 (0.56) FDFT1
SCHEMBL8558822 0.90 FDFT1 (0.56) FDFT1
SCHEMBL4286012 0.90 FDFT1 (0.54) FDFT1
SCHEMBL4299503 0.89 FDFT1 (0.63) FDFT1
SCHEMBL8501591 0.87 FDFT1 (0.56) FDFT1
SCHEMBL8501597 0.87 FDFT1 (0.56) FDFT1
SCHEMBL8565883 0.87 FDFT1 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

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