SCHEMBL7873649

SCHEMBL7873649

C1CC2CC12.Cc1cc(NC(=O)C(=O)O)cc(Cl)c1Oc1ccc(O)cc1S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.46
THRB P10828 4/20 0.46
RORC P51449 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6854899 0.81 THRA (0.39) THRATHRB
SCHEMBL4964591 0.74 THRB (0.51) THRATHRBRORCALDH1A1
SCHEMBL6658133 0.74 POLB (0.44) THRATHRBALDH1A1
SCHEMBL7512425 0.74 THRA (0.53) THRATHRBSMN1; SMN2ALDH1A1
SCHEMBL6659878 0.72 THRA (0.81) THRATHRB
SCHEMBL6659761 0.72 THRA (0.85) THRATHRB
SCHEMBL4963206 0.71 THRB (0.51) THRATHRBRORCALDH1A1
SCHEMBL1641063 0.70 THRB (0.58) THRATHRB
SCHEMBL1642037 0.70 THRA (0.80) THRATHRB
SCHEMBL1642019 0.70 THRA (0.82) THRATHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326398-B1 Oxamic acids and derivatives as thyroid receptor ligands PFIZER INC. 2001-12-04 US disclosed