SCHEMBL18759659

SCHEMBL18759659

CC(CNC(=O)OC(C)(C)C)NC(=O)C(CC=O)NC(=O)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.45
▸ CTSK P43235 4/20 0.45
▸ ACE P12821 1/20 0.45
▸ CCKBR P32239 1/20 0.44
▸ SYK P43405 1/20 0.44
▸ REN P00797 2/20 0.43
▸ CTSB P07858 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ NR1H2 P55055 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24114400 0.88 CTSS (0.51) CTSSCTSKACECTSBCTSL
SCHEMBL18759664 0.85 CCKBR (0.45) CTSSCTSKACECCKBRSYK
SCHEMBL24465207 0.85 CCKBR (0.45) CTSSCTSKACECCKBRSYK
SCHEMBL18759227 0.85 CHRNB2 (0.48) CTSSCTSKACECTSBCTSL
SCHEMBL24465200 0.80 SMN1; SMN2 (0.45) SMN1; SMN2
SCHEMBL24130775 0.79 KLK5 (0.53) CTSSCTSKACESYKCTSB
SCHEMBL24130777 0.79 KLK5 (0.53) CTSSCTSKACESYKCTSB
SCHEMBL18759283 0.78 CTSS (0.48) CTSSCTSKACE
SCHEMBL24130736 0.75 ACE (0.56) CTSSCTSKACECCKBRREN
SCHEMBL24130739 0.75 ACE (0.56) CTSSCTSKACECCKBRREN

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
WO-2017066763-A1 PROTEASOME INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-04-20 — — WO disclosed
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