SCHEMBL7428217

SCHEMBL7428217

COC(=O)C(C)c1cnc(C(CC(C)C)NC(=O)OCc2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.54
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
AAK1 Q2M2I8 4/20 0.46
CTSS P25774 2/20 0.45
CAPN1 P07384 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL16847491 0.81 ATM (0.46) CTSKCTSLCTSBCTSSATM
SCHEMBL6180184 0.81 CTSK (0.49) CTSKCTSLCTSBAAK1CTSS
SCHEMBL16847495 0.76 ATM (0.46) CTSKCTSLCTSBCTSSATM
SCHEMBL6356795 0.74 CTSK (0.51) CTSKCTSLCTSBAAK1CTSS
SCHEMBL4678519 0.74 CTSK (0.53) CTSKCTSLCTSBAAK1CTSS
SCHEMBL6981246 0.74 CTSK (0.75) CTSKCTSLCTSBAAK1CTSS
SCHEMBL6987536 0.74 CTSK (0.75) CTSKCTSLCTSBAAK1CTSS
SCHEMBL3978105 0.72 CTSK (0.74) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL14609392 0.72 CTSK (0.74) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL13611959 0.72 CTSK (0.74) CTSKCTSLCTSBCTSSCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355662-B1 PEPTIDE AND NONPEPTIDES AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS PFIZER INC 2002-03-12 US disclosed
US-6306887-B1 AROMATIC UREAS, CARBAMATES AND TRIAMINONITRILES AND HETEROCYCLIC COMPOUNDS PFIZER INC 2001-10-23 US disclosed
EP-1091943-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES Pfizer Products Inc. (US) 2001-04-18 EP disclosed
WO-2000000477-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2000-01-06 WO disclosed