SCHEMBL7314115

SCHEMBL7314115

CCCCC(NC(=O)C(CC(C)C)NC(=O)c1ccncc1)C(=O)CSCc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.41
CTSB P07858 5/20 0.41
POLB P06746 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
ALDH1A1 P00352 3/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LONP1 P36776 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MMP3 P08254 2/20 0.36
MMP9 P14780 2/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL7314110 1.00 CTSL (0.41) CTSLCTSBPOLBCRHBPCRHR2
SCHEMBL7303780 0.92 POLB (0.48) CTSLCTSBPOLBCRHBPCRHR2
SCHEMBL7303804 0.92 POLB (0.48) CTSLCTSBPOLBCRHBPCRHR2
SCHEMBL7306974 0.91 CTSL (0.45) CTSLCTSBPOLBCRHBPCRHR2
SCHEMBL7306978 0.91 CTSL (0.45) CTSLCTSBPOLBCRHBPCRHR2
SCHEMBL7299101 0.91 ALDH1A1 (0.44) CTSLCTSBPOLBCRHBPCRHR2
SCHEMBL7299094 0.91 ALDH1A1 (0.44) CTSLCTSBPOLBCRHBPCRHR2
SCHEMBL8887842 0.90 NPC1 (0.49) CTSLCTSBPOLBCRHBPCRHR2
SCHEMBL7308924 0.90 NPC1 (0.49) CTSLCTSBPOLBCRHBPCRHR2
SCHEMBL7313606 0.90 CTSL (0.44) CTSLCTSBPOLBCRHBPCRHR2

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