SCHEMBL5356902

SCHEMBL5356902

CCC(C)c1cc(Oc2c(Cl)cc(-n3[nH]c(=O)[nH]c3=O)cc2Cl)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.46
THRA P10827 11/20 0.46

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
SCHEMBL5362768 0.91 THRB (0.57) THRBTHRA
SCHEMBL5353779 0.88 THRB (0.46) THRBTHRA
SCHEMBL5357091 0.79 RORC (0.55) THRBTHRA
SCHEMBL5326809 0.78 THRB (0.46) THRBTHRA
SCHEMBL5326814 0.78 THRB (0.46) THRBTHRA
SCHEMBL5324895 0.78 THRB (0.54) THRBTHRA
SCHEMBL5327992 0.73 THRB (0.52) THRBTHRA
SCHEMBL3221689 0.70 THRA (0.57) THRBTHRA
SCHEMBL2169747 0.69 THRA (0.55) THRBTHRA
SCHEMBL2169743 0.69 THRA (0.55) 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
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