Ethyl Nicotinate

Ethyl Nicotinate

SCHEMBL7864950

CCCOC(=O)c1cccnc1.CCOC(=O)c1cccnc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.76
LMNA P02545 6/20 0.72
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
HPGD P15428 1/20 0.60
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL382067 0.95 L3MBTL1 (0.82) L3MBTL1LMNAALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL28859518 0.94 L3MBTL1 (0.80) L3MBTL1LMNAALDH1A1MAPTKMT2A
Ethyl Nicotinate SCHEMBL1330922 0.92 L3MBTL1 (0.71) L3MBTL1LMNAALDH1A1MAPTKMT2A
Ethyl Nicotinate SCHEMBL29958752 0.92 L3MBTL1 (0.71) L3MBTL1LMNAALDH1A1MAPTKMT2A
Ethyl Nicotinate SCHEMBL8164637 0.92 L3MBTL1 (0.71) L3MBTL1LMNAALDH1A1MAPTKMT2A
Ethyl Nicotinate SCHEMBL24853 0.92 L3MBTL1 (0.71) L3MBTL1LMNAALDH1A1MAPTKMT2A
Cyclohexane SCHEMBL27726328 0.91 L3MBTL1 (0.76) L3MBTL1LMNAALDH1A1MAPTKMT2A
Ethyl Nicotinate SCHEMBL8071110 0.91 L3MBTL1 (0.69) L3MBTL1LMNAALDH1A1MAPTKMT2A
Ethyl Nicotinate SCHEMBL9408506 0.91 L3MBTL1 (0.69) L3MBTL1LMNAALDH1A1MAPTKMT2A
Ethyl Nicotinate SCHEMBL11484012 0.91 L3MBTL1 (0.69) L3MBTL1LMNAALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001019185-A2 METHODS FOR CONTROLLING A PEST POPULATION SUMMUS GROUP, LTD. (US) 2001-03-22 WO disclosed