SCHEMBL11064803

SCHEMBL11064803

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.35
MMP9 P14780 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ANPEP P15144 1/20 0.33
ACHE P22303 2/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP13 P45452 2/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL11062912 0.88 ADAMTS4 (0.35) ADAMTS4MMP9L3MBTL1ACHEMMP1
SCHEMBL11064809 0.86 ANPEP (0.37) ADAMTS4MMP9L3MBTL1ANPEPMMP1
SCHEMBL11075029 0.85 ALDH1A1 (0.34) ADAMTS4MMP9L3MBTL1ANPEPMMP1
SCHEMBL11075028 0.85 ALDH1A1 (0.34) ADAMTS4MMP9L3MBTL1ANPEPMMP1
SCHEMBL11462285 0.83 L3MBTL1 (0.36) ADAMTS4MMP9L3MBTL1MMP1MMP2
SCHEMBL11479127 0.82 ADAMTS4 (0.35) ADAMTS4MMP9L3MBTL1ANPEPMMP1
SCHEMBL11465404 0.82 P2RX3 (0.35) ADAMTS4MMP9L3MBTL1SMN1; SMN2
SCHEMBL11460530 0.81 ADAMTS4 (0.37) ADAMTS4L3MBTL1ANPEPSMN1; SMN2
SCHEMBL11472104 0.81 ADAMTS4 (0.38) ADAMTS4L3MBTL1SMN1; SMN2ALDH1A1TDP1
SCHEMBL11462324 0.81 HSD17B14 (0.34) ADAMTS4MMP9L3MBTL1MMP1MMP2

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