SCHEMBL2853316

SCHEMBL2853316

CCOc1cc(CNC(N)=O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
ALOX15 P16050 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
TOP2A P11388 1/20 0.49
TRPV1 Q8NER1 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL4208734 0.85 ALDH1A1 (0.62) ALDH1A1ALOX15TSHRKMT2AGAA
SCHEMBL29185788 0.80 ALDH1A1 (0.58) ALDH1A1ALOX15KDM4ETSHRKMT2A
SCHEMBL30128916 0.80 ALDH1A1 (0.58) ALDH1A1ALOX15KDM4ETSHRKMT2A
SCHEMBL5723918 0.79 CYP1A2 (0.48) ALDH1A1ALOX15KDM4ETSHRKMT2A
SCHEMBL28969962 0.79 CYP1A2 (0.80) ALDH1A1ALOX15KMT2AMAPTCYP2C9
SCHEMBL21623925 0.79 HPGD (0.53) ALDH1A1ALOX15KDM4ETSHRKMT2A
SCHEMBL30303109 0.79 CYP1A2 (0.80) ALDH1A1ALOX15KMT2AMAPTCYP2C9
SCHEMBL898978 0.79 HPGD (0.47) ALDH1A1ALOX15KDM4ETSHRKMT2A
SCHEMBL28969964 0.78 ERCC1 (0.66) ALDH1A1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL20526453 0.78 ALDH1A1 (0.56) ALDH1A1ALOX15KDM4ETSHRKMT2A

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