SCHEMBL6435329

SCHEMBL6435329

COc1ccc(Oc2c(C)cc([N+](=O)[O-])cc2C#N)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.44
RORC P51449 4/20 0.44
AR P10275 6/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
THRA P10827 1/20 0.37
ESRRA P11474 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4965062 0.89 THRB (0.48) THRBRORCALDH1A1MAPTLMNA
SCHEMBL6433832 0.86 THRA (0.48) THRBTHRA
SCHEMBL5327698 0.78 RORC (0.62) THRBRORCMAPTLMNATHRA
SCHEMBL7095446 0.78 THRB (0.47) THRBRORCMAPTLMNATHRA
SCHEMBL2047460 0.78 THRB (0.51) THRBRORCLMNATHRASMN1; SMN2
SCHEMBL7041799 0.77 THRB (0.50) THRBRORCARTHRA
SCHEMBL25514817 0.76 VCAM1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL282202 0.76 THRB (0.52) THRBRORCARTHRAMEN1
SCHEMBL7256878 0.76 KIF11 (0.45) THRBRORCARLMNATHRA
SCHEMBL11039034 0.74 RORC (0.47) THRBRORCALDH1A1THRAHTT

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