SCHEMBL7797057

SCHEMBL7797057

CCC(C)[C@@H](NC(=O)N(CCc1ccccc1)C(=O)OC(C)(C)C)C(=O)NC(CCc1ccccc1)C(=O)CO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.42
CTSS P25774 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CA2 P00918 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSD P07339 4/20 0.38
REN P00797 1/20 0.38
ACE P12821 1/20 0.38
PSMB5 P28074 1/20 0.37
ANPEP P15144 1/20 0.37

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
SCHEMBL7139680 0.89 CTSS (0.43) CTSKCTSSMEN1KMT2ALMNA
SCHEMBL7137802 0.81 CTSK (0.44) CTSKCTSSCTSLCTSBREN
SCHEMBL7139684 0.81 CTSS (0.49) CTSKCTSSMEN1KMT2ALMNA
SCHEMBL7137259 0.81 CTSD (0.57) CTSKCTSSKMT2ACTSLCTSB
SCHEMBL7137824 0.80 CTSK (0.48) CTSKCTSSMEN1KMT2ALMNA
SCHEMBL7131848 0.80 MEN1 (0.50) CTSSMEN1KMT2ALMNACTSL
SCHEMBL7134710 0.79 CTSK (0.45) CTSKCTSSCA2CTSDREN
SCHEMBL7139828 0.78 CTSK (0.46) CTSKCTSSMEN1KMT2ALMNA
SCHEMBL7138049 0.78 HPGD (0.53) CTSSMEN1KMT2ALMNACTSL
SCHEMBL7139401 0.78 CCR1 (0.46) CTSSMEN1KMT2ALMNACTSL

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-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed