SCHEMBL6595585

SCHEMBL6595585

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.50
CTSK P43235 6/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
ACE P12821 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
REN P00797 2/20 0.46
KLK5 Q9Y337 1/20 0.45
AKT1 P31749 1/20 0.44
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
ATM Q13315 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL8094669 0.89 CTSS (0.50) CTSSCTSKCTSLCTSBACE
SCHEMBL6598112 0.85 PPARG (0.52) CTSSCTSKCTSLCTSBACE
SCHEMBL6597651 0.84 BCL2 (0.59) CTSSCTSKCTSLCTSBACE
SCHEMBL19575827 0.83 REN (0.54) CTSSCTSKCTSLCTSBACE
SCHEMBL4710782 0.83 REN (0.54) CTSSCTSKCTSLCTSBACE
SCHEMBL4710784 0.83 REN (0.54) CTSSCTSKCTSLCTSBACE
SCHEMBL2730038 0.80 ACE (0.62) CTSSCTSKCTSLCTSBACE
SCHEMBL376103 0.80 ACE (0.62) CTSSCTSKCTSLCTSBACE
SCHEMBL6675710 0.80 CTSS (0.53) CTSSCTSKCTSLCTSBACE
SCHEMBL10143850 0.80 CTSS (0.53) CTSSCTSKCTSLCTSBACE

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-1081132-B1 HYDROXAMIC ACID DERIVATIVES AND MEDICINAL UTILIZATION THEREOF MITSUBISHI PHARMA CORP (JP) 2004-03-10 EP disclosed
US-6610729-B1 Inhibotors of TNF, antiinflammatory MITSUBISHI PHARMA CORPORATION (JP) 2003-08-26 US disclosed
EP-1081132-A1 HYDROXAMIC ACID DERIVATIVES AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-03-07 EP disclosed