SCHEMBL4547370

SCHEMBL4547370

CCCCCCc1cc2cc3c(Cl)c4cc5cc(C)c(C)cc5cc4c(Cl)c3cc2cc1CCCCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.37
TYR P14679 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TLR8 Q9NR97 8/20 0.36
LIPG Q9Y5X9 1/20 0.34
PTGS2 P35354 4/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL543728 0.93 ALOX5 (0.41) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL543932 0.85 TLR8 (0.48) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL5753759 0.78 ALOX5 (0.52) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL543935 0.78 GPR84 (0.33) KCNH2
SCHEMBL3110488 0.78 ALOX5 (0.48) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL543501 0.75 ALOX5 (0.41) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL27677263 0.73 TLR8 (0.43) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL16807676 0.71 KDM4E (0.39) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL5749320 0.71 TLR8 (0.50) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL543217 0.70 GPR84 (0.41) MAPTHTTKMT2ATLR8

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
US-8236998-B2 Polyacene compound and organic semiconductor thin film ASAHI KASEI CORPORATION (JP) 2012-08-07 US disclosed