SCHEMBL7599524

SCHEMBL7599524

CCCCNc1cc(C)c(Cc2ccc(OC)c(C(C)C)c2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.47
THRA P10827 7/20 0.47
TLR7 Q9NYK1 7/20 0.37
OPRK1 P41145 1/20 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
SCHEMBL6864242 0.79 THRB (0.49) THRBTHRAOPRK1
SCHEMBL7114452 0.79 THRB (0.50) THRBTHRA
SCHEMBL282445 0.77 THRB (0.49) THRBTHRAOPRK1
SCHEMBL666032 0.77 THRB (0.43) THRBTHRAOPRK1
SCHEMBL6864460 0.77 THRB (0.48) THRBTHRAOPRK1
SCHEMBL6863331 0.76 THRB (0.66) THRBTHRA
SCHEMBL6863345 0.73 THRB (0.44) THRBTHRAOPRK1
SCHEMBL667473 0.72 THRB (0.45) THRBTHRAOPRK1
SCHEMBL7590192 0.71 ALDH1A1 (0.43) THRBTHRA
SCHEMBL667776 0.71 THRB (0.39) THRBTHRAOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194422-A1 BIARYL COMPOUNDS UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2002-04-10 EP disclosed
WO-2000073292-A1 BIARYL COMPOUNDS THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2000-12-07 WO disclosed