SCHEMBL4742879

SCHEMBL4742879

CCCCCCCCCCCCCCCCCCCSc1c[c]cc(SCCCCCCCCCCCCCCCCCCC)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.40
THRA P10827 1/20 0.39
GPR84 Q9NQS5 8/20 0.38
SCN9A Q15858 2/20 0.37
AR P10275 2/20 0.37
SCN5A Q14524 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL4746965 1.00 THRB (0.40) THRBTHRAGPR84SCN9AAR
SCHEMBL4746984 1.00 THRB (0.40) THRBTHRAGPR84SCN9AAR
SCHEMBL4743730 1.00 THRB (0.40) THRBTHRAGPR84SCN9AAR
SCHEMBL4746940 1.00 THRB (0.40) THRBTHRAGPR84SCN9AAR
SCHEMBL4747007 1.00 THRB (0.40) THRBTHRAGPR84SCN9AAR
SCHEMBL4745028 1.00 THRB (0.40) THRBTHRAGPR84SCN9AAR
SCHEMBL4742823 1.00 THRB (0.40) THRBTHRAGPR84SCN9AAR
SCHEMBL4745025 1.00 THRB (0.40) THRBTHRAGPR84SCN9AAR
SCHEMBL4802767 1.00 THRB (0.40) THRBTHRAGPR84SCN9AAR
SCHEMBL4745436 1.00 THRB (0.40) THRBTHRAGPR84SCN9AAR

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
WO-2008113753-A1 METHOD FOR THE PRODUCTION OF RYLENE TETRACARBOXYLIC ACID DIIMIDES THE IMIDE NITROGENS OF WHICH CARRY HYDROGEN ATOMS AND THE USE THEREOF BASF SE (DE) 2008-09-25 WO disclosed
EP-1843407-A1 Liquid crystalline rylenetetracarboxylic acid derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 2007-10-10 EP disclosed