SCHEMBL4019832

SCHEMBL4019832

C=CCc1ccc(O)c(OCOCC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
TRPM8 Q7Z2W7 4/20 0.63
ALOX5 P09917 2/20 0.63
PTGS1 P23219 2/20 0.63
CYP3A4 P08684 1/20 0.63
AR P10275 1/20 0.63
XDH P47989 1/20 0.51
GABRA1 P14867 7/20 0.51
GABRB2 P47870 7/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
CNR2 P34972 3/20 0.50
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
CNR1 P21554 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50

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
SCHEMBL4621763 0.88 ALDH1A1 (0.71) ALDH1A1TRPM8ALOX5PTGS1CYP3A4
SCHEMBL2226902 0.85 ALDH1A1 (0.71) ALDH1A1TRPM8ALOX5PTGS1CYP3A4
Eugenol SCHEMBL357017 0.84 TRPM8 (0.85) ALDH1A1TRPM8ALOX5PTGS1CYP3A4
Eugenol SCHEMBL12503523 0.84 TRPM8 (0.85) ALDH1A1TRPM8ALOX5PTGS1CYP3A4
SCHEMBL29102216 0.82 ALDH1A1 (0.67) ALDH1A1TRPM8ALOX5PTGS1CYP3A4
Eugenol SCHEMBL21623969 0.81 TRPM8 (0.80) ALDH1A1TRPM8ALOX5PTGS1CYP3A4
SCHEMBL29102206 0.81 CNR2 (0.65) ALDH1A1TRPM8ALOX5PTGS1CYP3A4
SCHEMBL5565436 0.81 ALDH1A1 (0.49) ALDH1A1TRPM8ALOX5PTGS1CYP3A4
SCHEMBL5568396 0.79 GABRA1 (0.48) ALDH1A1TRPM8ALOX5PTGS1CYP3A4
SCHEMBL29102215 0.79 CNR2 (0.64) ALDH1A1TRPM8ALOX5PTGS1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132294-A1 ACTIVE INGREDIENT CARRIER SYSTEMS Henkel AG & Co. KGaA (DE) 2009-12-16 EP disclosed
EP-2046929-A1 LIQUID SUPPORT Henkel AG & Co. KGaA (DE) 2009-04-15 EP disclosed
WO-2008104240-A1 ACTIVE INGREDIENT CARRIER SYSTEMS HENKEL AG & CO. KGAA (DE) 2008-09-04 WO disclosed
WO-2008055787-A1 FOAM SPONGE WITH STORAGE PARTICLES HENKEL AG & CO. KGAA (DE) 2008-05-15 WO disclosed
WO-2008012140-A1 LIQUID SUPPORT HENKEL AG & CO. KGAA (DE) 2008-01-31 WO disclosed