SCHEMBL7304130

SCHEMBL7304130

O=C(CNC(=O)OCc1ccccc1)NC(Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APC P25054 1/20 0.48
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
ACE P12821 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TACR1 P25103 2/20 0.40
TYR P14679 2/20 0.40
CASP1 P29466 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL7304120 1.00 APC (0.48) APCALDH1A1POLBACECTSL
SCHEMBL7347088 0.90 TACR1 (0.49) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL7347081 0.90 TACR1 (0.49) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL7314080 0.88 CTSL (0.47) APCALDH1A1POLBCTSLCTSB
SCHEMBL7314090 0.88 CTSL (0.47) APCALDH1A1POLBCTSLCTSB
SCHEMBL7310887 0.87 CTSL (0.51) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7310877 0.87 CTSL (0.51) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7349136 0.84 ALDH1A1 (0.45) ALDH1A1POLBACEUSP2MAPT
SCHEMBL7311888 0.83 CTSD (0.48) CASP1
SCHEMBL7311894 0.83 CTSD (0.48) CASP1

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
EP-0525420-B1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors MITSUBISHI CHEM CORP (JP) 1999-05-12 EP disclosed
US-5834508-A PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-10 US disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed
EP-0525420-A1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors Mitsubishi Chemical Corporation (JP) 1993-02-03 EP disclosed