SCHEMBL20052375

SCHEMBL20052375

CC(C)C(NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.61
SIRT5 Q9NXA8 1/20 0.58
CASP1 P29466 2/20 0.57
CASP3 P42574 2/20 0.57
CASP7 P55210 2/20 0.57
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
REN P00797 2/20 0.56
LMNA P02545 1/20 0.55
CTSK P43235 2/20 0.55
CTSB P07858 1/20 0.55
CASP4 P49662 1/20 0.55
CASP5 P51878 1/20 0.55
CASP9 P55211 1/20 0.55
CASP6 P55212 1/20 0.55
CASP8 Q14790 1/20 0.55
CASP10 Q92851 1/20 0.55
MME P08473 2/20 0.54
ECE1 P42892 2/20 0.54

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
SCHEMBL15462702 1.00 NMBR (0.61) NMBRSIRT5CASP1CASP3CASP7
SCHEMBL20355910 1.00 NMBR (0.61) NMBRSIRT5CASP1CASP3CASP7
SCHEMBL7971055 0.92 CASP1 (0.63) NMBRSIRT5CASP1CASP3CASP7
SCHEMBL20052368 0.91 NMBR (0.56) NMBRSIRT5CASP1CASP3CASP7
SCHEMBL20355932 0.91 NMBR (0.56) NMBRSIRT5CASP1CASP3CASP7
SCHEMBL15462644 0.91 NMBR (0.56) NMBRSIRT5CASP1CASP3CASP7
SCHEMBL19944561 0.89 NMBR (0.64) NMBRSIRT5CASP1CASP3CASP7
SCHEMBL20355933 0.86 CASP3 (0.77) NMBRSIRT5CASP1CASP3CASP7
SCHEMBL20052417 0.86 CASP3 (0.77) NMBRSIRT5CASP1CASP3CASP7
SCHEMBL15462676 0.86 CASP3 (0.77) NMBRSIRT5CASP1CASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944674-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2018-04-17 US disclosed