SCHEMBL798050

SCHEMBL798050

COc1ccc(CCCc2ccccn2)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.58
CYP19A1 P11511 1/20 0.58
ESR2 Q92731 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
POLB P06746 1/20 0.49
SYK P43405 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ABCB1 P08183 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44

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
SCHEMBL934115 0.88 KDM4E (0.45) ESR1CYP19A1ESR2L3MBTL1MTNR1A
SCHEMBL933437 0.85 KDM4E (0.42) ESR1CYP19A1ESR2L3MBTL1MTNR1A
SCHEMBL798358 0.82 CYP2C19 (0.46) RAB9AGAAKDM4EALDH1A1
SCHEMBL29167655 0.79 SYK (0.52) L3MBTL1MTNR1AMTNR1BSYKNPC1
SCHEMBL991232 0.79 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BPOLBSYK
SCHEMBL8797884 0.78 HRH1 (0.51) ALDH1A1
SCHEMBL788202 0.77 HRH1 (0.45) GAAKDM4EALDH1A1
SCHEMBL787766 0.76 MAPT (0.61) L3MBTL1MTNR1AMTNR1BPOLBNPC1
SCHEMBL30134679 0.76 MAPT (0.61) L3MBTL1MTNR1AMTNR1BPOLBNPC1
SCHEMBL29167678 0.75 SYK (0.48) CYP19A1L3MBTL1MTNR1AMTNR1BSYK

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3065563-A1 PURIFICATION OF N-ACYL AMINO ACIDS BY USING PROPYLENE GLYCOL AS EXTRACTING SOLVENT Givaudan S.A. (CH) 2016-09-14 EP disclosed
EP-3052472-A1 N-ACYLATED 2-AMINOISOBUTYRIC ACID COMPOUNDS AND FLAVOUR COMPOSITIONS CONTAINING THEM Givaudan S.A. (CH) 2016-08-10 EP disclosed
WO-2015049275-A1 PURIFICATION OF N-ACYL AMINO ACIDS BY USING PROPYLENE GLYCOL AS EXTRACTING SOLVENT GIVAUDAN SA (CH) 2015-04-09 WO disclosed
WO-2015050536-A1 N-ACYLATED 2-AMINOISOBUTYRIC ACID COMPOUNDS AND FLAVOUR COMPOSITIONS CONTAINING THEM GIVAUDAN S.A. (CH) 2015-04-09 WO disclosed
EP-2833738-A1 N-ACYLATED METHIONINE DERIVATIVES AS FOOD FLAVOURING COMPOUNDS Givaudan SA (CH) 2015-02-11 EP disclosed
EP-2833739-A1 N-ACYL PROLINE DERIVATIVES AS FOOD FLAVOURING COMPOUNDS Givaudan SA (CH) 2015-02-11 EP disclosed
EP-2830438-A2 N-ACYL-AMINO ACID DERIVATIVES AS FOOD FLAVOURING COMPOUNDS, POWDER COMPOSITIONS CONTAINING THEM Givaudan SA (CH) 2015-02-04 EP disclosed
EP-2830437-A1 N-ACYLATED 1 - AMINOCYCLOALKYL CARBOXYLIC ACIDS AS FOOD FLAVOURING COMPOUNDS Givaudan SA (CH) 2015-02-04 EP disclosed
EP-2830441-A1 N-ACYL DERIVATIVES OF GAMMA AMINO - BUTYRIC ACID AND AND BETA ALANINE AS FOOD FLAVOURING COMPOUNDS Givaudan SA (CH) 2015-02-04 EP disclosed
EP-2830440-A2 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2015-02-04 EP disclosed
WO-2013149008-A2 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan, S.A. (CH) 2013-10-03 WO disclosed
WO-2013148997-A1 N-ACYLATED 1 - AMINOCYCLOALKYL CARBOXYLIC ACIDS AS FOOD FLAVOURING COMPOUNDS Givaudan, S.A. (CH) 2013-10-03 WO disclosed
WO-2013149012-A1 N-ACYL AMINO ACID DERIVATIVES AS FOOD FLAVOURING COMPOUNDS GIVAUDAN S.A. (CH) 2013-10-03 WO disclosed
WO-2013149031-A2 POWDER FLAVOUR COMPOSITION GIVAUDAN S.A. (CH) 2013-10-03 WO disclosed
EP-2615930-A2 TASTE ENHANCEMENT Givaudan SA (CH) 2013-07-24 EP disclosed
WO-2013041599-A1 PYRIDINE DERIVATES AND THEIR USE AS UMAMI TASTANTS GIVAUDAN SA (CH) 2013-03-28 WO disclosed
WO-2013010991-A1 FLAVOUR MODIFYING COMPOUNDS GIVAUDAN SA (CH) 2013-01-24 WO disclosed
EP-2531489-A1 OXALAMIDE DERIVATIVE AS UMAMI FLAVOURING AGENT Givaudan SA (CH) 2012-12-12 EP disclosed
WO-2012035032-A2 TASTE ENHANCEMENT GIVAUDAN SA (CH) 2012-03-22 WO disclosed
WO-2011095533-A1 OXALAMIDE DERIVATIVE AS UMAMI FLAVOURING AGENT GIVAUDAN SA (CH) 2011-08-11 WO disclosed