SCHEMBL11064809

SCHEMBL11064809

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.37
MMP9 P14780 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ADAMTS4 O75173 3/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP13 P45452 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSL P07711 2/20 0.34
CTSK P43235 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
CTSB P07858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PTGES O14684 1/20 0.32
CTSS P25774 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
SCHEMBL11064803 0.86 ADAMTS4 (0.35) ANPEPMMP9L3MBTL1ADAMTS4MMP1
SCHEMBL11068736 0.86 PKM (0.36) ADAMTS4ALDH1A1
SCHEMBL11465404 0.85 P2RX3 (0.35) MMP9L3MBTL1ADAMTS4CTSLCTSK
SCHEMBL11479127 0.85 ADAMTS4 (0.35) ANPEPMMP9L3MBTL1ADAMTS4MMP1
SCHEMBL11461825 0.84 NPC1 (0.35) MMP9L3MBTL1ADAMTS4ALDH1A1TDP1
SCHEMBL11471668 0.84 CTSL (0.34) MMP9L3MBTL1ADAMTS4MMP1MMP2
SCHEMBL11462285 0.84 L3MBTL1 (0.36) MMP9L3MBTL1ADAMTS4MMP1MMP2
SCHEMBL11479397 0.84 KLK7 (0.36) MMP9L3MBTL1ADAMTS4CTSLCTSK
SCHEMBL11462324 0.84 HSD17B14 (0.34) MMP9L3MBTL1ADAMTS4MMP1MMP2
SCHEMBL11471659 0.84 CTSL (0.39) L3MBTL1CTSLCTSKCTSB

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