SCHEMBL5328904

SCHEMBL5328904

COc1ccc(Oc2c(C)cc(N3CC(=O)NC3=O)cc2C)cc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.50
RORC P51449 7/20 0.42
THRA P10827 6/20 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
SCHEMBL5327062 0.90 THRB (0.45) THRBRORCTHRA
SCHEMBL5323874 0.88 RORC (0.55) THRBRORCTHRA
SCHEMBL5327791 0.86 THRB (0.67) THRBTHRA
SCHEMBL5327813 0.79 THRB (0.56) THRBTHRA
SCHEMBL5326859 0.79 THRB (0.46) THRBRORCTHRANPBWR1MCHR1
SCHEMBL5328906 0.78 THRB (0.48) THRBRORCTHRANPBWR1MCHR1
SCHEMBL7555866 0.77 THRB (0.47) THRBRORCTHRA
SCHEMBL7597002 0.76 THRB (0.47) THRBRORCTHRAMCHR1
SCHEMBL282017 0.76 THRB (0.53) THRBRORCTHRA
Hydrochloric Acid SCHEMBL8800518 0.75 THRB (0.52) 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 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