SCHEMBL170629

SCHEMBL170629

C=Cc1ccc(O)c(OC)c1.C=Cc1ccc(OC)c(O)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.86
MAPT P10636 2/20 0.60
APP P05067 2/20 0.60
ALDH1A1 P00352 2/20 0.59
AOX1 Q06278 1/20 0.59
TRIM24 O15164 1/20 0.59
HPGD P15428 1/20 0.59
ALDH5A1 P51649 1/20 0.59
ABAT P80404 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TRIM33 Q9UPN9 1/20 0.59
TUBB1 Q9H4B7 6/20 0.58
CYP1A2 P05177 2/20 0.57
TYR P14679 1/20 0.57
TUBB4A P04350 2/20 0.57
TUBB P07437 2/20 0.57
TUBA3C P0DPH7 2/20 0.57
TUBA1B P68363 2/20 0.57
TUBA4A P68366 2/20 0.57
TUBB4B P68371 2/20 0.57

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
SCHEMBL901218 0.93 TRPA1 (1.00) TRPA1MAPTAPPALDH1A1TRIM24
SCHEMBL54200 0.93 TRPA1 (0.72) TRPA1MAPTAPPALDH1A1AOX1
SCHEMBL28025333 0.93 TRPA1 (0.72) TRPA1MAPTAPPALDH1A1AOX1
SCHEMBL54199 0.93 TRPA1 (1.00) TRPA1MAPTAPPALDH1A1TRIM24
SCHEMBL29452839 0.93 TRPA1 (1.00) TRPA1MAPTAPPALDH1A1TRIM24
SCHEMBL29378195 0.93 TRPA1 (0.72) TRPA1MAPTAPPALDH1A1AOX1
Vanillin SCHEMBL28084015 0.92 ALDH1A1 (0.73) TRPA1MAPTAPPALDH1A1AOX1
Methyl Alcohol SCHEMBL27907459 0.91 TRPA1 (0.70) TRPA1MAPTAPPALDH1A1AOX1
Methyl Alcohol SCHEMBL27907460 0.91 TRPA1 (0.96) TRPA1MAPTAPPALDH1A1TRIM24
Guaiacol SCHEMBL26117963 0.88 TRPA1 (0.67) TRPA1MAPTAPPALDH1A1AOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058540-A1 Probiotic Enriched and Low Organic Acid Food Products COMPAGNIE GERVAIS DANONE (FR) 2012-03-08 US disclosed
US-20100086646-A1 PROBIOTIC-CONTAINING FOOD PRODUCT AND A PROTONATED WEAK MONOACID COMPAGNIE GERVAIS DANONE (FR) 2010-04-08 US disclosed