SCHEMBL2853305

SCHEMBL2853305

COc1ccc(CNC(N)=O)cc1O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.68
ALDH1A1 P00352 2/20 0.62
TSHR P16473 3/20 0.59
GAA P10253 2/20 0.59
CYP3A4 P08684 2/20 0.59
ALOX15 P16050 2/20 0.59
KDM4E B2RXH2 1/20 0.59
RAB9A P51151 1/20 0.59
CYP1A2 P05177 1/20 0.55
NFKB1 P19838 1/20 0.55
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
APEX1 P27695 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.52
FAAH O00519 1/20 0.52
ALOX12 P18054 1/20 0.51
MAPK10 P53779 1/20 0.51

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
SCHEMBL2846636 0.89 ALDH1A1 (0.78) ALDH1A1TSHRGAACYP3A4CYP1A2
SCHEMBL4208734 0.88 ALDH1A1 (0.62) TRPV1ALDH1A1TSHRGAACYP3A4
SCHEMBL7355639 0.87 TRPV1 (0.76) TRPV1ALDH1A1TSHRGAACYP3A4
SCHEMBL3721209 0.86 TRPV1 (0.69) TRPV1ALDH1A1TSHRGAACYP3A4
SCHEMBL14564764 0.86 TRPV1 (0.69) TRPV1ALDH1A1TSHRGAACYP3A4
SCHEMBL12635836 0.82 HPGD (0.63) ALDH1A1TSHRGAAALOX15KDM4E
SCHEMBL28208051 0.81 TRPV1 (0.63) TRPV1ALDH1A1TSHRGAACYP3A4
SCHEMBL7370094 0.80 TRPV1 (0.61) TRPV1ALDH1A1TSHRGAACYP3A4
SCHEMBL5070307 0.80 TRPV1 (0.61) TRPV1ALDH1A1TSHRGAACYP3A4
SCHEMBL30646461 0.80 ERCC1 (0.69) TRPV1TSHRGAACYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100129515-A1 FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-05-27 US claimed
EP-1915063-A2 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES Quest International Services B.V. (NL) 2008-04-30 EP claimed
WO-2007013811-A2 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-02-01 WO claimed
US-20100129515-A1 FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-05-27 US disclosed
US-20100129515-A1 FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-05-27 US disclosed
EP-1915063-A2 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES Quest International Services B.V. (NL) 2008-04-30 EP disclosed
EP-1915063-A2 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES Quest International Services B.V. (NL) 2008-04-30 EP disclosed
WO-2007013811-A3 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES QUEST INT SERV BV (NL) 2007-05-10 WO disclosed
WO-2007013811-A2 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-02-01 WO disclosed
WO-2007013811-A2 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-02-01 WO disclosed