SCHEMBL8375951

SCHEMBL8375951

C=CCOC(=O)c1ccc(C[S+]([O-])C2CC(=O)N2C(C)COCCCCCC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.30
CACNA1D Q01668 1/20 0.30

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
SCHEMBL8374000 0.93 MEN1 (0.32) BCHE
SCHEMBL8373737 0.91 BCHE (0.33) BCHECACNA1D
SCHEMBL8374698 0.91 ALDH1A1 (0.36) BCHE
SCHEMBL8378215 0.88 CXCR3 (0.35)
SCHEMBL8517073 0.87 MCHR1 (0.37) BCHE
SCHEMBL8378214 0.85 MCHR1 (0.33)
SCHEMBL8373739 0.85 BCHE (0.35) BCHE
SCHEMBL8377056 0.84 MEN1 (0.34) BCHE
SCHEMBL8517128 0.83 MAPT (0.37)
SCHEMBL8377485 0.82 ALDH1A1 (0.36) BCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900199-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed