SCHEMBL5269344

SCHEMBL5269344

[CH2]Cc1cc(OCCCC)c(OCCCC)c(OCCCC)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.35
CNR2 P34972 1/20 0.35
TLR8 Q9NR97 1/20 0.35
SRC P12931 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
SCHEMBL5265358 0.94 THRA (0.41) THRATHRBSMN1; SMN2KMT2AMAPT
SCHEMBL5267870 0.93 THRA (0.42) THRATHRBTLR8
SCHEMBL5265558 0.93 THRA (0.42) THRATHRBTLR8
SCHEMBL5269278 0.93 THRA (0.42) THRATHRBTLR8
SCHEMBL5269007 0.93 THRA (0.42) THRATHRBTLR8
SCHEMBL5265095 0.93 THRA (0.42) THRATHRBTLR8
SCHEMBL5272551 0.93 THRA (0.42) THRATHRBTLR8
SCHEMBL5265507 0.93 THRA (0.42) THRATHRBTLR8
SCHEMBL5271254 0.93 THRA (0.42) THRATHRBTLR8
SCHEMBL5267622 0.93 THRA (0.42) THRATHRBTLR8

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