SCHEMBL5267613

SCHEMBL5267613

[CH2]c1cc(OCCCCCCCCC)c(OCCCCCCCCC)c(OCCCCCCCCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
TLR8 Q9NR97 1/20 0.40
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NR5A1 Q13285 1/20 0.39
SRC P12931 1/20 0.39
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL5270141 1.00 THRA (0.41) THRATHRBTLR8MEN1NR1I2
SCHEMBL5266350 1.00 THRA (0.41) THRATHRBTLR8MEN1NR1I2
SCHEMBL5270066 1.00 THRA (0.41) THRATHRBTLR8MEN1NR1I2
SCHEMBL5269365 1.00 THRA (0.41) THRATHRBTLR8MEN1NR1I2
SCHEMBL2017879 1.00 THRA (0.41) THRATHRBTLR8MEN1NR1I2
SCHEMBL1187488 1.00 THRA (0.41) THRATHRBTLR8MEN1NR1I2
SCHEMBL5270597 1.00 THRA (0.41) THRATHRBTLR8MEN1NR1I2
SCHEMBL5267689 1.00 THRA (0.41) THRATHRBTLR8MEN1NR1I2
SCHEMBL1920764 1.00 THRA (0.41) THRATHRBTLR8MEN1NR1I2
SCHEMBL5268685 1.00 THRA (0.41) THRATHRBTLR8MEN1NR1I2

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