SCHEMBL1582575

SCHEMBL1582575

CC(CO)NC(=O)C(C)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
ACACB O00763 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
PAX8 Q06710 1/20 0.35
KCNK3 O14649 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
CNR2 P34972 1/20 0.35
BLM P54132 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL10311692 0.82 CNR1 (0.41) CNR1ACACBTDP1PAX8KCNK3
SCHEMBL8459221 0.82 CNR1 (0.41) CNR1ACACBTDP1PAX8KCNK3
SCHEMBL10311688 0.82 CNR1 (0.41) CNR1ACACBTDP1PAX8KCNK3
SCHEMBL15750681 0.80 MEN1 (0.39) MEN1KMT2ALMNAACACBTDP1
SCHEMBL1399119 0.80 LMNA (0.50) CNR1MEN1KMT2ALMNAACACB
SCHEMBL2309969 0.80 MMP1 (0.50) MEN1KMT2AACACBALDH1A1
SCHEMBL13351173 0.78 DPP4 (0.50) CNR1TDP1PAX8KCNK3ALDH1A1
SCHEMBL20733281 0.78 ACE (0.50) CNR1LMNATDP1PAX8KCNK3
SCHEMBL9240957 0.78 DPP4 (0.50) CNR1TDP1PAX8KCNK3ALDH1A1
SCHEMBL16481095 0.78 CNR1 (0.39) CNR1TDP1PAX8KCNK3ALDH1A1

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
CN-101252847-B Improved flavour compositions QUEST INT SERV BV 2012-05-23 CN claimed
EP-1919303-B1 IMPROVED FLAVOUR COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2011-04-20 EP claimed
CN-101252847-A Improved flavour compositions QUEST INT SERV BV (NL) 2008-08-27 CN claimed
CN-101252847-B Improved flavour compositions QUEST INT SERV BV 2012-05-23 CN disclosed
CN-101252847-A Improved flavour compositions QUEST INT SERV BV (NL) 2008-08-27 CN disclosed