SCHEMBL7080957

SCHEMBL7080957

COc1cc(COC2CN(OC(=O)OC(C)(C)C)CCC2c2cnc(SC)nc2)c(OC)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.44
SSTR5 P35346 7/20 0.37
CFTR P13569 3/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
TP53 P04637 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
SCHEMBL7082580 0.91 REN (0.44) RENSSTR5CFTR
SCHEMBL7078288 0.89 REN (0.43) RENSSTR5CFTR
SCHEMBL7079907 0.87 REN (0.43) RENSSTR5CFTR
SCHEMBL7077413 0.86 REN (0.43) RENSSTR5
SCHEMBL6042477 0.85 REN (0.47) RENSSTR5CFTRALDH1A1HTT
SCHEMBL7076766 0.84 REN (0.54) RENSSTR5
SCHEMBL7079908 0.84 REN (0.52) RENSSTR5
SCHEMBL7082883 0.83 REN (0.46) RENSSTR5ALDH1A1
SCHEMBL7084760 0.83 REN (0.54) RENSSTR5ALDH1A1
SCHEMBL7079331 0.83 REN (0.46) RENSSTR5

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
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed