SCHEMBL20052400

SCHEMBL20052400

CCC(C)C(NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.50
ECE1 P42892 2/20 0.50
CASP3 P42574 2/20 0.50
CASP1 P29466 1/20 0.50
CASP4 P49662 1/20 0.50
CASP5 P51878 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
CASP10 Q92851 1/20 0.50
CTSB P07858 5/20 0.49
CTSL P07711 3/20 0.49
CTSS P25774 3/20 0.49
PSMB5 P28074 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
CTSK P43235 4/20 0.47
SYK P43405 1/20 0.46
REN P00797 2/20 0.45

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
SCHEMBL15462622 1.00 MME (0.50) MMEECE1CASP3CASP1CASP4
SCHEMBL20356162 1.00 MME (0.50) MMEECE1CASP3CASP1CASP4
SCHEMBL20052435 0.94 CASP1 (0.56) MMEECE1CASP3CASP1CASP4
SCHEMBL20052390 0.94 CASP1 (0.56) MMEECE1CASP3CASP1CASP4
SCHEMBL15462629 0.94 CASP1 (0.56) MMEECE1CASP3CASP1CASP4
SCHEMBL6662946 0.90 PSMB5 (0.55) MMEECE1CASP3CASP1CASP4
SCHEMBL6666188 0.89 CTSB (0.57) MMEECE1CASP3CASP1CASP4
SCHEMBL6661796 0.84 CTSB (0.54) MMEECE1CASP3CASP1CASP4
SCHEMBL20052429 0.84 CASP3 (0.54) MMEECE1CASP3CASP1CASP4
SCHEMBL15462685 0.84 CASP3 (0.54) MMEECE1CASP3CASP1CASP4

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