SCHEMBL5753759

SCHEMBL5753759

CCCCCCc1cc2cc3c(O)c4cc5cc(CCCCCC)c(CCCCCC)cc5cc4c(O)c3cc2cc1CCCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.52
CYP3A4 P08684 3/20 0.52
TYR P14679 2/20 0.52
TP53 P04637 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTGS2 P35354 8/20 0.50
LIPG Q9Y5X9 1/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44

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
SCHEMBL5749320 0.91 TLR8 (0.50) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL3110488 0.87 ALOX5 (0.48) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL5751431 0.85 HMGCR (0.41) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL543728 0.84 ALOX5 (0.41) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL543501 0.84 ALOX5 (0.41) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL30385507 0.80 ALOX5 (0.62) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL5676212 0.80 ALOX5 (0.62) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL28991807 0.80 ALOX5 (0.62) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL28991964 0.80 ALOX5 (0.62) ALOX5CYP3A4TYRTP53MEN1
SCHEMBL30386288 0.80 ALOX5 (0.62) ALOX5CYP3A4TYRTP53MEN1

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-1719749-A1 POLYACENE COMPOUND AND ORGANIC SEMICONDUCTOR THIN FILM Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2006-11-08 EP disclosed