SCHEMBL2846746

SCHEMBL2846746

COc1cc(CNC(=O)NCc2ccccc2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.69
ALDH1A1 P00352 3/20 0.66
PTPN1 P18031 1/20 0.63
PTPN7 P35236 1/20 0.61
DUSP3 P51452 1/20 0.61
GAA P10253 2/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ATM Q13315 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57

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
SCHEMBL2925120 0.86 TRPV1 (0.70) TRPV1ALDH1A1GAATSHRNFKB1
SCHEMBL2849365 0.86 PTPN7 (0.69) TRPV1PTPN7DUSP3
SCHEMBL30884017 0.86 PTPN7 (0.69) TRPV1PTPN7DUSP3
SCHEMBL11069853 0.85 GAA (0.67) TRPV1ALDH1A1PTPN7DUSP3GAA
SCHEMBL297477 0.85 ALDH1A1 (0.64) TRPV1ALDH1A1GAATSHRNFKB1
SCHEMBL5681720 0.84 ERCC1 (0.69) TRPV1PTPN7DUSP3
SCHEMBL6380001 0.84 TRPV1 (0.63) TRPV1ALDH1A1PTPN7DUSP3GAA
SCHEMBL5707095 0.82 MTNR1A (0.69) TRPV1ALDH1A1GAATSHRNFKB1
SCHEMBL6568606 0.82 ALDH1A1 (0.60) TRPV1ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL6480802 0.81 NPC1 (0.60) TRPV1ALDH1A1

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
US-20100129515-A1 FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-05-27 US 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
WO-2007013811-A2 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-02-01 WO disclosed