SCHEMBL5269963

SCHEMBL5269963

[CH2]CCc1cc(OCCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
PTGS2 P35354 2/20 0.37
ACE2 Q9BYF1 1/20 0.36
TLR8 Q9NR97 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
SCHEMBL5271300 1.00 THRA (0.44) THRATHRBPTGS2ACE2TLR8
SCHEMBL5266156 1.00 THRA (0.44) THRATHRBPTGS2ACE2TLR8
SCHEMBL5266842 1.00 THRA (0.44) THRATHRBPTGS2ACE2TLR8
SCHEMBL5270274 1.00 THRA (0.44) THRATHRBPTGS2ACE2TLR8
SCHEMBL5269989 1.00 THRA (0.44) THRATHRBPTGS2ACE2TLR8
SCHEMBL5267521 1.00 THRA (0.44) THRATHRBPTGS2ACE2TLR8
SCHEMBL5266692 1.00 THRA (0.44) THRATHRBPTGS2ACE2TLR8
SCHEMBL5269693 1.00 THRA (0.44) THRATHRBPTGS2ACE2TLR8
SCHEMBL5268536 1.00 THRA (0.44) THRATHRBPTGS2ACE2TLR8
SCHEMBL5269757 1.00 THRA (0.44) THRATHRBPTGS2ACE2TLR8

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-1843407-A1 Liquid crystalline rylenetetracarboxylic acid derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 2007-10-10 EP disclosed