SCHEMBL8799237

SCHEMBL8799237

CCOC(=O)C(O)C1OC(c2ccccc2Cl)c2cc(Cl)ccc2N(CC(C)C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FDFT1 P37268 7/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8800495 0.90 FDFT1 (0.38) ALDH1A1SMN1; SMN2FDFT1MAPTTSHR
SCHEMBL8799522 0.88 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2FDFT1MAPTTSHR
SCHEMBL8505447 0.79 FDFT1 (0.43) FDFT1
SCHEMBL6963843 0.79 FDFT1 (0.45) ALDH1A1FDFT1
SCHEMBL6959220 0.79 FDFT1 (0.45) ALDH1A1FDFT1
SCHEMBL6954804 0.79 FDFT1 (0.47) ALDH1A1FDFT1
SCHEMBL6954797 0.79 FDFT1 (0.47) ALDH1A1FDFT1
SCHEMBL6954810 0.79 FDFT1 (0.47) ALDH1A1FDFT1
SCHEMBL6952893 0.79 FDFT1 (0.55) FDFT1
SCHEMBL4116107 0.79 FDFT1 (0.55) 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-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