SCHEMBL3704052

SCHEMBL3704052

CCOC(=O)C(C)N(C(=O)c1ccccc1)c1cc(Cl)c(Oc2ccc(OC)c(C(C)CC)c2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.47
THRB P10828 8/20 0.47
THRA P10827 3/20 0.41
NPBWR1 P48145 1/20 0.37
C5AR1 P21730 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
SCHEMBL3706695 0.89 THRB (0.42) RORCTHRBTHRAC5AR1
SCHEMBL3711993 0.87 THRB (0.45) RORCTHRBTHRA
SCHEMBL3812710 0.86 THRB (0.46) RORCTHRBTHRAC5AR1
SCHEMBL3705917 0.82 THRB (0.49) RORCTHRBTHRA
SCHEMBL3812706 0.82 THRB (0.45) RORCTHRBTHRA
SCHEMBL3703969 0.81 THRA (0.53) THRBTHRA
SCHEMBL3221348 0.81 THRB (0.48) RORCTHRBTHRA
SCHEMBL3713161 0.80 THRB (0.43) RORCTHRBTHRA
SCHEMBL3706521 0.80 RORC (0.53) RORCTHRBTHRA
SCHEMBL3227188 0.78 THRB (0.46) RORCTHRBTHRA

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-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO claimed
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO disclosed