SCHEMBL6624269

SCHEMBL6624269

Cc1cc([N+](=O)[O-])c2c(c1Oc1cc(C=O)c(O)c(-c3ccc(F)cc3)c1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 17/20 0.37
THRA P10827 3/20 0.36
THRB P10828 3/20 0.36

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
SCHEMBL6624275 0.89 ALDH1A1 (0.33) ERN1THRATHRB
SCHEMBL5401337 0.79 ERN1 (0.44) ERN1THRATHRB
SCHEMBL5394328 0.74 MAPT (0.44) ERN1
SCHEMBL5391479 0.72 THRB (0.54) THRATHRB
SCHEMBL5397899 0.71 THRB (0.49) THRATHRB
SCHEMBL5401756 0.69 HTR7 (0.45) THRB
SCHEMBL5396348 0.68 POLB (0.41) THRATHRB
SCHEMBL5397581 0.68 MAPT (0.46) THRATHRB
SCHEMBL5402710 0.67 CYP19A1 (0.44)
SCHEMBL5402707 0.67 CYP19A1 (0.44)

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
EP-1471049-A1 NOVEL THYROID HORMONE RECEPTOR LIGAND, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-10-27 EP disclosed