SCHEMBL11068673

SCHEMBL11068673

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARS1 P26639 1/20 0.36
PTGS1 P23219 1/20 0.34
F2 P00734 3/20 0.33
F10 P00742 3/20 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
HSD17B14 Q9BPX1 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC15A1 P46059 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
DPP4 P27487 1/20 0.31
PLA2G10 O15496 1/20 0.31
ADAMTS4 O75173 1/20 0.31
ALOX5 P09917 2/20 0.31

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
SCHEMBL11073039 0.89 TARS1 (0.36) TARS1PTGS1F2F10PRSS1
SCHEMBL11066689 0.85 TARS1 (0.39) TARS1PTGS1F2F10PRSS1
SCHEMBL11468020 0.84 PTGS1 (0.36) PTGS1HSD17B14MEN1CYP2D6KMT2A
SCHEMBL11281589 0.81 L3MBTL1 (0.32) PTGS1HSD17B14ADAMTS4
SCHEMBL11275766 0.81 HSD17B14 (0.31) PTGS1HSD17B14MEN1KMT2AADAMTS4
SCHEMBL11274780 0.81 ALDH1A1 (0.31) PTGS1ADAMTS4
SCHEMBL11265443 0.80 L3MBTL1 (0.31) PTGS1
SCHEMBL11275008 0.78 ADAMTS4 (0.31) ADAMTS4
SCHEMBL11492578 0.78 ALDH1A1 (0.36) PTGS1F2F10PRSS1PRSS2
SCHEMBL11070361 0.78 ADAMTS4 (0.33) ADAMTS4MMP9

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