SCHEMBL3963181

SCHEMBL3963181

CCOC(=O)CN(C(=O)OCC)c1cc(C)c(Oc2ccc(OC)c(C(C)CC)c2)c(C)c1.CCOC(=O)CN(C(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)c(C(=O)c3ccc(Cl)s3)c2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.35
THRB P10828 6/20 0.35
THRA P10827 1/20 0.31

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
SCHEMBL3226109 0.90 NPSR1 (0.34) RORCTHRB
SCHEMBL3227188 0.86 THRB (0.46) RORCTHRBTHRA
SCHEMBL3226718 0.84 THRB (0.37) RORCTHRBTHRA
SCHEMBL3962431 0.84 THRA (0.39) THRBTHRA
SCHEMBL3226111 0.80 THRB (0.43) RORCTHRBTHRA
SCHEMBL3233002 0.80 RORC (0.55) RORCTHRBTHRA
SCHEMBL3219376 0.78 ALDH1A1 (0.38) RORCTHRBTHRA
SCHEMBL3713161 0.78 THRB (0.43) RORCTHRBTHRA
SCHEMBL3224530 0.77 POLB (0.45) RORCTHRB
SCHEMBL3227224 0.77 THRA (0.47) THRBTHRA

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
EP-2079678-A2 SELECTIVE TR-BETA 1 AGONIST Cadila Healthcare Limited (IN) 2009-07-22 EP disclosed
WO-2008062469-A2 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed