SCHEMBL526114

SCHEMBL526114

C=CCc1ccc(OC(=O)c2ccccc2O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP3A4 P08684 2/20 0.52
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
XDH P47989 1/20 0.49
PTGS1 P23219 2/20 0.47
ALOX15 P16050 1/20 0.46
ALOX5 P09917 2/20 0.46
AR P10275 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
GAA P10253 2/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44

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
SCHEMBL4652633 0.87 MEN1 (0.71) TDP1KMT2ACYP3A4MEN1L3MBTL1
SCHEMBL2052139 0.83 HSD17B10 (0.61) TDP1KMT2ACYP3A4MEN1L3MBTL1
SCHEMBL7712290 0.82 HSD17B10 (0.59) TDP1KMT2ACYP3A4MEN1L3MBTL1
SCHEMBL2052137 0.80 KDM4E (0.56) TDP1KMT2ACYP3A4MEN1L3MBTL1
SCHEMBL11565823 0.80 XDH (0.54) TDP1KMT2ACYP3A4MEN1L3MBTL1
SCHEMBL7712284 0.79 KDM4E (0.55) TDP1KMT2ACYP3A4MEN1L3MBTL1
Eugenol SCHEMBL14167717 0.78 PTGS1 (0.68) TDP1KMT2ACYP3A4MEN1L3MBTL1
SCHEMBL4447222 0.77 HPGD (0.60) TDP1KMT2AMEN1ALDH1A1HPGD
SCHEMBL17208826 0.77 PTGS1 (0.52) TDP1KMT2ACYP3A4MEN1L3MBTL1
SCHEMBL16282949 0.77 XDH (0.51) TDP1KMT2ACYP3A4MEN1L3MBTL1

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
EP-2598079-A1 MOUTHWASH FORMULATIONS FOR USE WITH TOOTHBRUSH DELIVERY DEVICE Colgate-Palmolive Company (US) 2013-06-05 EP disclosed
EP-2516003-A1 KIT CONTAINING PHOTOSENSITIZING DYES Colgate-Palmolive Company (US) 2012-10-31 EP disclosed
EP-2516014-A1 ORAL CARE COMPOSITIONS FOR USE WITH AN ORAL LIGHT DEVICE Colgate-Palmolive Company (US) 2012-10-31 EP disclosed
EP-2506828-A1 ORAL COMPOSITIONS CONTAINING A COMBINATION OF NATURAL EXTRACTS AND RELATED METHODS Colgate-Palmolive Company (US) 2012-10-10 EP disclosed
WO-2012015420-A1 MOUTHWASH FORMULATIONS FOR USE WITH TOOTHBRUSH DELIVERY DEVICE COLGATE-PALMOLIVE COMPANY (US) 2012-02-02 WO disclosed
WO-2011084746-A1 KIT CONTAINING PHOTOSENSITIZING DYES COLGATE-PALMOLIVE COMPANY (US) 2011-07-14 WO disclosed
WO-2011084744-A1 ORAL CARE COMPOSITIONS FOR USE WITH AN ORAL LIGHT DEVICE COLGATE-PALMOLIVE COMPANY (US) 2011-07-14 WO disclosed
WO-2011068812-A1 ORAL COMPOSITIONS CONTAINING A COMBINATION OF NATURAL EXTRACTS AND RELATED METHODS COLGATE-PALMOLIVE COMPANY (US) 2011-06-09 WO disclosed