SCHEMBL5353779

SCHEMBL5353779

CCC(C)c1cc(Oc2c(Cl)cc(-n3[nH]c(=O)[nH]c3=O)cc2Cl)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.46
RORC P51449 8/20 0.46
NPBWR1 P48145 2/20 0.37
MCHR1 Q99705 2/20 0.37
THRA P10827 7/20 0.36
CRHR1 P34998 1/20 0.33

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
SCHEMBL5357091 0.90 RORC (0.55) THRBRORCTHRA
SCHEMBL5356902 0.88 THRB (0.46) THRBTHRA
SCHEMBL5362768 0.81 THRB (0.57) THRBTHRA
SCHEMBL3221389 0.79 THRB (0.57) THRBRORCTHRA
SCHEMBL5326859 0.78 THRB (0.46) THRBRORCNPBWR1MCHR1THRA
SCHEMBL5326865 0.78 RORC (0.46) THRBRORCNPBWR1MCHR1THRA
SCHEMBL16495807 0.76 THRB (0.54) THRBRORCTHRA
SCHEMBL3229107 0.74 THRB (0.52) THRBRORCTHRA
SCHEMBL5330136 0.73 THRB (0.54) THRBRORCTHRA
SCHEMBL16496559 0.71 THRB (0.54) THRBRORCTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO disclosed