SCHEMBL6954804

SCHEMBL6954804

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

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 16/20 0.47
ALDH1A1 P00352 1/20 0.41
MDM2 Q00987 1/20 0.40

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
SCHEMBL6954810 1.00 FDFT1 (0.47) FDFT1ALDH1A1MDM2
SCHEMBL6954797 1.00 FDFT1 (0.47) FDFT1ALDH1A1MDM2
SCHEMBL6952888 0.92 FDFT1 (0.55) FDFT1MDM2
SCHEMBL6952893 0.92 FDFT1 (0.55) FDFT1MDM2
SCHEMBL4116107 0.92 FDFT1 (0.55) FDFT1MDM2
SCHEMBL8501265 0.87 FDFT1 (0.53) FDFT1MDM2
SCHEMBL8501268 0.87 FDFT1 (0.53) FDFT1MDM2
SCHEMBL8799010 0.87 FDFT1 (0.42) FDFT1ALDH1A1MDM2
SCHEMBL6954208 0.87 FDFT1 (0.44) FDFT1ALDH1A1
SCHEMBL6954198 0.87 FDFT1 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567026-B1 4,1-Benzoxazepin derivatives as squalene synthase inhibitors and their use in the treatment of hypercholesteremia and as fungicides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
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
EP-0567026-A1 4,1-Benzoxazepin derivatives as squalene synthase inhibitors and their use in the treatment of hypercholesteremia and as fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP disclosed