SCHEMBL16701741

SCHEMBL16701741

CCCCCc1coc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.42
LIPG Q9Y5X9 1/20 0.36
ALOX5 P09917 6/20 0.35
CYP3A4 P08684 3/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 7/20 0.33
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31

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
SCHEMBL11619551 0.77 TYR (0.38) TYRLIPGALOX5CYP3A4MAPT
SCHEMBL19520719 0.72 TYR (0.40) TYRLIPGALOX5CYP3A4MAPT
SCHEMBL1936139 0.71 ALDH1A1 (0.42) TYRLIPGALOX5CYP3A4MAPT
SCHEMBL8792802 0.70 LIPG (0.42) TYRLIPGALOX5CYP3A4MAPT
SCHEMBL16976744 0.69 ALDH1A1 (0.45) TYRLIPGALOX5CYP3A4MAPT
SCHEMBL7261310 0.69 LIPG (0.45) TYRLIPGALOX5CYP3A4MAPT
SCHEMBL27811264 0.68 BID (0.43) MAPTALOX15KDM4EHSD17B10
SCHEMBL25632014 0.68 MAPT (0.36) TYRMAPTHTTSMN1; SMN2KDM4E
SCHEMBL3933033 0.67 ALOX5 (0.40) TYRLIPGALOX5CYP3A4MAPT
SCHEMBL3920357 0.67 TYR (0.34) TYRCYP3A4MAPTTP53TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3259317-A1 POLYMERIC COMPOSITION ABSORBING, COMPRISING AND RELEASING AN ODORIFEROUS ACTIVE COMPOUND, METHOD FOR PREPARING IT AND ITS USE Arkema France (FR) 2017-12-27 EP disclosed
EP-3066138-A1 POLYMERIC COMPOSITION COMPRISING AND RELEASING AN ODORIFEROUS ACTIVE COMPOUND Arkema France (FR) 2016-09-14 EP disclosed
WO-2016131969-A1 POLYMERIC COMPOSITION ABSORBING, COMPRISING AND RELEASING AN ODORIFEROUS ACTIVE COMPOUND, METHOD FOR PREPARING IT AND ITS USE ARKEMA FRANCE (FR) 2016-08-25 WO disclosed
WO-2015067722-A1 POLYMERIC COMPOSITION COMPRISING AND RELEASING AN ODORIFEROUS ACTIVE COMPOUND ARKEMA FRANCE (FR) 2015-05-14 WO disclosed