SCHEMBL16119115

SCHEMBL16119115

CCC(=O)[C@H](CC1=CCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.41
CTSK P43235 9/20 0.39
CTSS P25774 9/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CACNA1B Q00975 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN9A Q15858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL16119290 0.87 ACE (0.48) ACECTSKCTSSCTSLCTSB
SCHEMBL16228847 0.87 ACE (0.48) ACECTSKCTSSCTSLCTSB
SCHEMBL6908318 0.86 KLK5 (0.44) ACECTSKCTSSCTSLCTSB
SCHEMBL16228157 0.86 KLK5 (0.44) ACECTSKCTSSCTSLCTSB
SCHEMBL16119293 0.86 KLK5 (0.44) ACECTSKCTSSCTSLCTSB
SCHEMBL16119295 0.83 CTSS (0.41) CTSKCTSSCTSLCTSBSCN9A
SCHEMBL17483752 0.83 CTSK (0.38) ACECTSKCTSSCTSLCTSB
SCHEMBL8909470 0.82 ALDH1A1 (0.46) CTSKCTSSCACNA1BALDH1A1KDM4E
SCHEMBL26043016 0.82 CA1 (0.40) ACECTSKCTSSCTSLCTSB
SCHEMBL17483753 0.81 JAK3 (0.47) ACECTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970224-B1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS INC (US) 2017-09-06 EP disclosed
WO-2014152127-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-09-25 WO disclosed
WO-2014152134-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-09-25 WO disclosed