SCHEMBL6935295

SCHEMBL6935295

CO/C=C(\C(=O)OC)c1ccccc1C=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
NFE2L2 Q16236 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CAPN1 P07384 1/20 0.42
BACE1 P56817 1/20 0.41
SNCA P37840 4/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL204249 1.00 TRPA1 (0.44) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL7170865 1.00 TRPA1 (0.44) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL29358897 1.00 TRPA1 (0.44) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL7170869 1.00 TRPA1 (0.44) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL28354139 1.00 TRPA1 (0.44) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL8159487 0.99 BACE1 (0.43) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL8159482 0.99 BACE1 (0.43) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL10358886 0.89 SNCA (0.45) TRPA1NFE2L2BACE1SNCALMNA
SCHEMBL9308756 0.89 NFE2L2 (0.42) TRPA1NFE2L2CYP1A2CYP2C19BACE1
SCHEMBL10358885 0.89 SNCA (0.45) TRPA1NFE2L2BACE1SNCALMNA

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
EP-0178826-B2 Fungicides SYNGENTA LTD (GB) 2003-04-09 EP disclosed
EP-0178826-B1 FUNGICIDES ZENECA LIMITED (GB) 1991-12-18 EP disclosed