SCHEMBL30558161

SCHEMBL30558161

COc1ncc(Cc2c(C)cc(NC(C)=O)cc2C)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
GAA P10253 1/20 0.41
THRB P10828 11/20 0.40
THRA P10827 10/20 0.40
ALDH1A1 P00352 2/20 0.33
PIK3C3 Q8NEB9 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
SCHEMBL29527186 0.87 RORC (0.39) RORCGAATHRBTHRA
SCHEMBL29066177 0.87 RORC (0.39) RORCGAATHRBTHRA
SCHEMBL29527194 0.81 THRB (0.44) RORCTHRBTHRA
SCHEMBL29066191 0.79 THRB (0.41) GAATHRBTHRA
SCHEMBL29527123 0.79 THRB (0.41) GAATHRBTHRA
SCHEMBL29066250 0.75 MAPT (0.35) RORCGAATHRBTHRAALDH1A1
SCHEMBL30083001 0.71 THRB (0.43) RORCTHRBTHRAALDH1A1
SCHEMBL28650685 0.71 THRB (0.43) RORCTHRBTHRAALDH1A1
SCHEMBL6864242 0.71 THRB (0.49) RORCTHRBTHRA
SCHEMBL28650050 0.70 RORC (0.37) RORCTHRB

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
CN-116710443-A 2-pyridones as thyroid hormone receptor modulators 阿利戈斯治疗公司 2023-09-05 CN disclosed