SCHEMBL5328906

SCHEMBL5328906

COc1ccc(Oc2c(C)cc(N3C(=O)CNC3=O)cc2C)cc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.48
RORC P51449 6/20 0.42
THRA P10827 6/20 0.38
GAA P10253 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL5330306 0.90 THRB (0.43) THRBRORCTHRAGAA
SCHEMBL5323878 0.88 RORC (0.55) THRBRORCTHRA
SCHEMBL5327796 0.86 THRB (0.64) THRBTHRA
SCHEMBL7555866 0.79 THRB (0.47) THRBRORCTHRA
SCHEMBL5327815 0.79 THRB (0.53) THRBTHRA
SCHEMBL5326865 0.79 RORC (0.46) THRBRORCTHRAGAANPBWR1
SCHEMBL7597002 0.78 THRB (0.47) THRBRORCTHRAMCHR1
SCHEMBL5328904 0.78 THRB (0.50) THRBRORCTHRANPBWR1MCHR1
SCHEMBL5326041 0.74 THRB (0.57) THRBTHRA
SCHEMBL282017 0.73 THRB (0.53) THRBRORCTHRAGAA

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