SCHEMBL5079020

SCHEMBL5079020

CCNC(=O)N(CC)C(=O)CC#N

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.52
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 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
SCHEMBL1070889 0.82 MCL1 (0.48) MCL1ALDH1A1GAAMMP1MMP2
SCHEMBL4405423 0.77 ALDH1A1 (0.48) MCL1ALDH1A1GAAMMP1MMP2
SCHEMBL6489591 0.76 MCL1 (0.39) MCL1
SCHEMBL27426652 0.76 ALDH1A1 (0.41) MCL1ALDH1A1GAAMMP1MMP2
SCHEMBL28504677 0.75 MCL1 (0.44) MCL1
SCHEMBL4403350 0.73 ALDH1A1 (0.43) MCL1ALDH1A1GAAMMP1MMP2
SCHEMBL14817327 0.72 ALDH1A1 (0.41) MCL1ALDH1A1GAAMMP1MMP2
SCHEMBL6219908 0.72 MEN1 (0.38) MCL1ALDH1A1GAA
SCHEMBL5076250 0.71 MCL1 (0.42) MCL1ALDH1A1GAAMMP2
SCHEMBL10068166 0.71 ALDH1A1 (0.44) MCL1ALDH1A1GAAMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358286-B2 Stabilizer system for stabilizing PVC CHEMTURA VINYL ADDITIVES GMBH (DE) 2008-04-15 US disclosed
US-20060052497-A1 Stabilizer system for stabilizing pvc CROMPTON VINYL ADDITIVES GMBH (DE) 2006-03-09 US disclosed