SCHEMBL19520719

SCHEMBL19520719

CCCCCCCCCCc1coc(CCCCCCCCCC)c1CCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
LIPG Q9Y5X9 1/20 0.38
ALOX5 P09917 5/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 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
PTGS2 P35354 6/20 0.33
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 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
SCHEMBL6785369 0.92 MAPT (0.36) TYRMAPTHTTKDM4EALDH1A1
SCHEMBL3918783 0.74 TYR (0.37) TYRALOX5TP53CYP3A4PTGS2
SCHEMBL3922014 0.74 TYR (0.37) TYRALOX5TP53CYP3A4PTGS2
SCHEMBL3920357 0.72 TYR (0.34) TYRTP53CYP3A4MAPTTSHR
SCHEMBL16701741 0.72 TYR (0.42) TYRLIPGALOX5TP53CYP3A4
SCHEMBL2964011 0.71 HTT (0.38) TYRLIPGALOX5TP53CYP3A4
SCHEMBL2969617 0.71 MAPT (0.35) TYRMAPTHTTALDH1A1
SCHEMBL28522920 0.71 LIPG (0.43) TYRLIPGALOX5TP53CYP3A4
SCHEMBL14389463 0.71 MAPT (0.35) MAPTHTTALDH1A1
SCHEMBL11781337 0.71 TYR (0.36) TYRALOX5TP53CYP3A4MEN1

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
WO-2017189865-A1 LIPIDIC FURAN, PYRROLE, AND THIOPHENE COMPOUNDS FOR USE IN THE TREATMENT OF ATROPHIC VAGINITIS AVOSCIENCE, LLC (US) 2017-11-02 WO disclosed