SCHEMBL8829593

SCHEMBL8829593

C/C=C\c1cc(C)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
TRPA1 O75762 1/20 0.50
TP53 P04637 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CNR2 P34972 1/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX5 P09917 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL7746080 1.00 MAPT (0.52) MAPTKDM4ELMNAHTTTRPA1
SCHEMBL1109599 1.00 MAPT (0.52) MAPTKDM4ELMNAHTTTRPA1
SCHEMBL4211075 0.83 TRPA1 (0.50) MAPTKDM4ELMNAHTTTRPA1
SCHEMBL10604117 0.83 TRPA1 (0.50) MAPTKDM4ELMNAHTTTRPA1
SCHEMBL3949848 0.80 ALOX5 (0.57) CNR2ALOX5TYRESR1ESR2
SCHEMBL3949851 0.80 ALOX5 (0.57) CNR2ALOX5TYRESR1ESR2
SCHEMBL69993 0.80 ALDH1A1 (0.55) MAPTKDM4ETP53TDP1CNR2
SCHEMBL69994 0.80 ALDH1A1 (0.55) MAPTKDM4ETP53TDP1CNR2
SCHEMBL6557065 0.78 CNR2 (0.67) MAPTKDM4ELMNATP53TDP1
SCHEMBL10497061 0.78 ALOX5 (0.55) CNR2ALOX5ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9059320-A None JP disclosed
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 EP disclosed
WO-2007087128-A2 SALT-SENSITIVE BINDERS FOR NONWOVEN WEBS AND METHOD OF MAKING SAME CELANESE INTERNATIONAL CORPORATION (US) 2007-08-02 WO disclosed
US-20070173594-A1 Salt-sensitive binders for nonwoven webs and method of making same CELANESE INTERNATIONAL CORPORATION 2007-07-26 US disclosed
JP-H0959320-A CURABLE COMPOSITION DAI ICHI KOGYO SEIYAKU CO LTD 1997-03-04 JP disclosed
US-4005158-A O-(2-vinylphenyl)-thiol-phosphates CIBA-GEIGY CORPORATION (US) 1977-01-25 US disclosed
US-3969442-A O-(2-Vinylphenyl)-thiolphosphates CIBA-GEIGY CORPORATION (US) 1976-07-13 US disclosed
US-3968223-A Control of insects and acarids with O-(2-vinylphenyl)-thiolphosphates CIBA-GEIGY CORPORATION (US) 1976-07-06 US disclosed