SCHEMBL3661471

SCHEMBL3661471

COC1C=C(C=Cc2ccccc2)C=CC1(O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.38
TRPA1 O75762 2/20 0.37
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NFE2L2 Q16236 2/20 0.34
TUBB1 Q9H4B7 2/20 0.34
RELA Q04206 2/20 0.33
CHAT P28329 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 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
SCHEMBL27844868 0.81 TRPA1 (0.38) CMA1TRPA1KDM4EMAPTMEN1
SCHEMBL27863367 0.80 MAPT (0.43) MAPTMEN1ALDH1A1CYP3A4HPGD
SCHEMBL8319755 0.75 GLA (0.36) CMA1TRPA1KDM4EMAPTMEN1
SCHEMBL27702925 0.74 TRPA1 (0.40) CMA1TRPA1KDM4EMAPTMEN1
SCHEMBL28040338 0.71 CMA1 (0.40) CMA1TRPA1KDM4EMAPTMEN1
SCHEMBL28183726 0.71 CMA1 (0.40) CMA1TRPA1KDM4EMAPTMEN1
SCHEMBL1507766 0.67 FBP1 (0.36) CMA1TRPA1MEN1ALDH1A1HPGD
SCHEMBL31193007 0.67 MAPT (0.39) CMA1TRPA1KDM4EMAPTMEN1
SCHEMBL31193035 0.67 MAPT (0.39) CMA1TRPA1KDM4EMAPTMEN1
SCHEMBL11775251 0.66 TRPA1 (0.40) CMA1TRPA1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101026959-B Fungicidally active polymer dispersions and use thereof CELANESE EMULSIONS GMBH 2010-10-13 CN claimed
EP-2231847-A1 METHOD AND COMPOSITIONS FOR PRESERVING WINE Rubin, David (US) 2010-09-29 EP disclosed
WO-2009089334-A1 METHOD AND COMPOSITIONS FOR PRESERVING WINE RUBIN DAVID (US) 2009-07-16 WO disclosed