SCHEMBL20052368

SCHEMBL20052368

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.56
CASP1 P29466 2/20 0.55
CASP3 P42574 2/20 0.55
CASP7 P55210 2/20 0.55
SIRT5 Q9NXA8 1/20 0.53
CASP4 P49662 1/20 0.53
CASP5 P51878 1/20 0.53
CASP9 P55211 1/20 0.53
CASP6 P55212 1/20 0.53
CASP8 Q14790 1/20 0.53
CASP10 Q92851 1/20 0.53
REN P00797 2/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
CTSK P43235 2/20 0.51
CTSB P07858 1/20 0.51
LMNA P02545 1/20 0.51
CCKBR P32239 2/20 0.49
CTSL P07711 2/20 0.48

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
SCHEMBL15462644 1.00 NMBR (0.56) NMBRCASP1CASP3CASP7SIRT5
SCHEMBL20355932 1.00 NMBR (0.56) NMBRCASP1CASP3CASP7SIRT5
SCHEMBL15462702 0.91 NMBR (0.61) NMBRCASP1CASP3CASP7SIRT5
SCHEMBL20052375 0.91 NMBR (0.61) NMBRCASP1CASP3CASP7SIRT5
SCHEMBL20355910 0.91 NMBR (0.61) NMBRCASP1CASP3CASP7SIRT5
SCHEMBL19944839 0.90 NMBR (0.59) NMBRCASP1CASP3CASP7SIRT5
SCHEMBL7887054 0.85 CASP3 (0.51) CASP1CASP3CASP7CASP4CASP5
SCHEMBL19944561 0.84 NMBR (0.64) NMBRCASP1CASP3CASP7SIRT5
SCHEMBL9961969 0.84 CTSL (0.50) CASP1CASP3CASP7CASP9REN
SCHEMBL7971055 0.83 CASP1 (0.63) NMBRCASP1CASP3CASP7SIRT5

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