SCHEMBL5267095

SCHEMBL5267095

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
ACE2 Q9BYF1 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
PTGS2 P35354 1/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR8 Q9NR97 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
SCHEMBL5266842 0.98 THRA (0.44) THRATHRBACE2PTGS2TLR8
SCHEMBL5269989 0.98 THRA (0.44) THRATHRBACE2PTGS2TLR8
SCHEMBL5270274 0.98 THRA (0.44) THRATHRBACE2PTGS2TLR8
SCHEMBL5267521 0.98 THRA (0.44) THRATHRBACE2PTGS2TLR8
SCHEMBL5269693 0.98 THRA (0.44) THRATHRBACE2PTGS2TLR8
SCHEMBL5266692 0.98 THRA (0.44) THRATHRBACE2PTGS2TLR8
SCHEMBL5266156 0.98 THRA (0.44) THRATHRBACE2PTGS2TLR8
SCHEMBL5269963 0.98 THRA (0.44) THRATHRBACE2PTGS2TLR8
SCHEMBL5268536 0.98 THRA (0.44) THRATHRBACE2PTGS2TLR8
SCHEMBL5271300 0.98 THRA (0.44) THRATHRBACE2PTGS2TLR8

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