SCHEMBL6433832

SCHEMBL6433832

Cc1cc([N+](=O)[O-])cc(C#N)c1Oc1ccc(O)c(C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.48
THRB P10828 14/20 0.48

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
SCHEMBL4962573 0.89 THRB (0.59) THRATHRB
SCHEMBL6435329 0.86 THRB (0.44) THRATHRB
SCHEMBL6435602 0.81 THRB (0.51) THRATHRB
SCHEMBL8891500 0.78 THRA (0.65) THRATHRB
SCHEMBL2047915 0.78 THRA (0.65) THRATHRB
SCHEMBL282135 0.77 THRA (0.50) THRATHRB
SCHEMBL6432405 0.76 THRA (0.80) THRATHRB
SCHEMBL7259163 0.75 KIF11 (0.47) THRATHRB
SCHEMBL4965062 0.73 THRB (0.48) THRATHRB
SCHEMBL6432424 0.73 THRA (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033364-B1 Cyano containing oxamic acids and derivatives as thyroid receptor ligands PFIZER PROD INC (US) 2005-02-23 EP disclosed
US-6194454-B1 ANTILIPEMIC AGENTS; ANTIDIABETIC AGENTS; DIETETICS; RHEUMATIC DISEASES; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDEPRESSANTS; BONE DISORDERS PFIZER INC. 2001-02-27 US disclosed
EP-1033364-A1 Cyano containing oxamic acids and derivatives as thyroid receptor ligands Pfizer Products Inc. (US) 2000-09-06 EP disclosed