SCHEMBL1582483

SCHEMBL1582483

CC(O)C(=O)NCC(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PIK3CD O00329 1/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
FPR2 P25090 1/20 0.39
CNR1 P21554 6/20 0.35
CNR2 P34972 6/20 0.35
TRPA1 O75762 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11518497 0.84 MEN1 (0.47) MEN1KMT2ATP53ALDH1A1LMNA
SCHEMBL10311712 0.84 PIK3CD (0.42) KMT2APIK3CDPPARGPPARDPPARA
SCHEMBL19882810 0.80 PIK3CD (0.39) PIK3CDPPARGPPARDPPARAFPR2
SCHEMBL29645831 0.80 PIK3CD (0.39) PIK3CDPPARGPPARDPPARAFPR2
SCHEMBL12975647 0.78 PIK3CD (0.38) PIK3CDPPARGPPARDPPARAFPR2
SCHEMBL19873061 0.77 MEN1 (0.45) MEN1KMT2ATP53CTSSCTSK
SCHEMBL16338109 0.77 MEN1 (0.45) MEN1KMT2ATP53CTSSCTSK
SCHEMBL9499500 0.77 MEN1 (0.41) MEN1KMT2AFPR2PTGS1KCNH2
SCHEMBL18125095 0.75 MAPK1 (0.45) PIK3CDFPR2CNR1CNR2CTSS
SCHEMBL18125083 0.75 MAPK1 (0.45) PIK3CDFPR2CNR1CNR2CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349001-A1 Flavour Compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2014-11-27 US claimed
EP-1919303-B1 IMPROVED FLAVOUR COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2011-04-20 EP claimed
US-20080199584-A1 Mixture containing an hydroxylated secondary amide compound GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-08-21 US claimed
EP-1919303-A1 IMPROVED FLAVOUR COMPOSITIONS Quest International Services B.V. (NL) 2008-05-14 EP claimed
WO-2007027095-A1 IMPROVED FLAVOUR COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-03-08 WO claimed
US-4143159-A SKIN-CARE AGENTS CONTAINING HYDROXYALKYL CARBOXAMIDES AND PROCESS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-03-06 US claimed
US-9155329-B2 Flavour compositions Givaudan, S.A. (CH) 2015-10-13 US disclosed
US-9155329-B2 Flavour compositions Givaudan, S.A. (CH) 2015-10-13 US disclosed
US-20140349001-A1 Flavour Compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2014-11-27 US disclosed
US-20140349001-A1 Flavour Compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2014-11-27 US disclosed
CN-101252847-B Improved flavour compositions QUEST INT SERV BV 2012-05-23 CN disclosed
EP-1919303-B1 IMPROVED FLAVOUR COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2011-04-20 EP disclosed
EP-1919303-B1 IMPROVED FLAVOUR COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2011-04-20 EP disclosed
CN-101252847-A Improved flavour compositions QUEST INT SERV BV (NL) 2008-08-27 CN disclosed
US-20080199584-A1 Mixture containing an hydroxylated secondary amide compound GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-08-21 US disclosed
US-20080199584-A1 Mixture containing an hydroxylated secondary amide compound GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-08-21 US disclosed
EP-1919303-A1 IMPROVED FLAVOUR COMPOSITIONS Quest International Services B.V. (NL) 2008-05-14 EP disclosed
EP-1919303-A1 IMPROVED FLAVOUR COMPOSITIONS Quest International Services B.V. (NL) 2008-05-14 EP disclosed
WO-2007027095-A1 IMPROVED FLAVOUR COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-03-08 WO disclosed
WO-2007027095-A1 IMPROVED FLAVOUR COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-03-08 WO disclosed