SCHEMBL11073039

SCHEMBL11073039

CC(C)C(N)C(=O)OC(C#N)c1cccc(Oc2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARS1 P26639 1/20 0.36
F2 P00734 5/20 0.34
F10 P00742 5/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX5 P09917 2/20 0.33
DPP4 P27487 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
SCN9A Q15858 2/20 0.33
HSD17B14 Q9BPX1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SYK P43405 1/20 0.32
ANPEP P15144 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL11068673 0.89 TARS1 (0.36) TARS1F2F10ALOX5DPP4
SCHEMBL11066689 0.85 TARS1 (0.39) TARS1F2F10ALOX5DPP4
SCHEMBL11462142 0.84 AKR1C3 (0.36) F2F10ALDH1A1TDP1ALOX5
SCHEMBL11064809 0.84 ANPEP (0.37) F2F10ALDH1A1TDP1L3MBTL1
SCHEMBL11172764 0.83 FFAR2 (0.39) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL11398919 0.83 ALDH1A1 (0.33) F2F10ALDH1A1TDP1ALOX5
SCHEMBL11402704 0.83 AKR1C3 (0.37) F2F10ALDH1A1TDP1KMT2A
SCHEMBL11265440 0.82 ALDH1A1 (0.33) ALDH1A1TDP1HSD17B14L3MBTL1
SCHEMBL11277961 0.81 ALDH1A1 (0.38) ALDH1A1TDP1HSD17B14L3MBTL1
SCHEMBL11228275 0.81 PDE2A (0.34) F2F10ALDH1A1TDP1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447613-A Pyridyl esters and thiolesters of aminoalkanoic acids ZOECON CORPORATION (US) 1984-05-08 US disclosed
US-4269981-A Certain pyridylmethyl esters of formamido-lower-alkanoates and derivatives thereof ZOECON CORPORATION (US) 1981-05-26 US disclosed
US-4247701-A Certain pesticidal substituted amino lower-alkanoates or lower-alkano-thioates containing pyridyl in the ester portion ZOECON CORPORATION (US) 1981-01-27 US disclosed