SCHEMBL6664291

SCHEMBL6664291

CC(C)[C@](C)(NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
CTSS P25774 4/20 0.47
TACR1 P25103 3/20 0.43
SYK P43405 1/20 0.43
CTSL P07711 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSB P07858 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL7411664 0.86 CTSS (0.53) CTSSTACR1SYKCTSLMEN1
SCHEMBL7411667 0.86 CTSS (0.53) CTSSTACR1SYKCTSLMEN1
SCHEMBL6666953 0.85 CTSS (0.50) CTSSSYKCTSLMEN1KMT2A
SCHEMBL7158260 0.83 CTSS (0.50) CTSSTACR1SYKCTSLMEN1
SCHEMBL7158263 0.83 CTSS (0.50) CTSSTACR1SYKCTSLMEN1
SCHEMBL7154600 0.79 CTSS (0.46) CTSSSYKCTSLMEN1KMT2A
SCHEMBL7154604 0.79 CTSS (0.46) CTSSSYKCTSLMEN1KMT2A
SCHEMBL8381862 0.78 CTSS (0.53) CTSSSYKCTSLMEN1KMT2A
SCHEMBL7158550 0.78 CA1 (0.46) CTSSTACR1SYKCTSLMEN1
SCHEMBL7158545 0.78 CA1 (0.46) CTSSTACR1SYKCTSLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200457-B1 CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2004-08-25 EP disclosed
US-6635621-B1 Alpha amino acid amide derivatives; reducing cathepsins B, L, S and/or K activity NAEJA PHARMACEUTICAL INC. (CA) 2003-10-21 US disclosed