SCHEMBL8799010

SCHEMBL8799010

CC(C)CN1C(=O)C(CC=O)OC(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 14/20 0.42
ALDH1A1 P00352 1/20 0.38
MDM2 Q00987 1/20 0.35

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
SCHEMBL6954804 0.87 FDFT1 (0.47) FDFT1ALDH1A1MDM2
SCHEMBL6954810 0.87 FDFT1 (0.47) FDFT1ALDH1A1MDM2
SCHEMBL6952893 0.87 FDFT1 (0.55) FDFT1MDM2
SCHEMBL4116107 0.87 FDFT1 (0.55) FDFT1MDM2
SCHEMBL6954797 0.87 FDFT1 (0.47) FDFT1ALDH1A1MDM2
SCHEMBL6952888 0.87 FDFT1 (0.55) FDFT1MDM2
SCHEMBL6957815 0.87 FDFT1 (0.41) FDFT1ALDH1A1
SCHEMBL6957809 0.87 FDFT1 (0.41) FDFT1ALDH1A1
SCHEMBL6957819 0.87 FDFT1 (0.41) FDFT1ALDH1A1
SCHEMBL8800243 0.87 FDFT1 (0.42) FDFT1ALDH1A1

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-5677298-A USEFUL FOR THE PROPHYLAXIS OR THERAPY OF HYPERCHOLESTEREMIA OR CORONOARY SCLEROSIS OF MAMMALS TAKEDA CHEMICAL INDUSTRIES (JP) 1997-10-14 US disclosed
EP-0645377-B1 Benzoxazepine derivatives useful as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-08-13 EP disclosed
EP-0645377-A1 Benzoxazepine derivatives useful as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-29 EP disclosed