SCHEMBL7300609

SCHEMBL7300609

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(F)c(F)c(F)c1)C(=O)CSCc1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP3 P42574 3/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CASP8 Q14790 1/20 0.36
CTSK P43235 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
HPGD P15428 2/20 0.35
CTSL P07711 2/20 0.35
MMP3 P08254 2/20 0.35

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
SCHEMBL7300622 1.00 POLB (0.37) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7310672 0.93 CTSK (0.44) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7310659 0.93 CTSK (0.44) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7306331 0.93 CTSL (0.39) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7306348 0.93 CTSL (0.39) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7306122 0.90 ALDH1A1 (0.35) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7306104 0.90 ALDH1A1 (0.35) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7313606 0.90 CTSL (0.44) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7313599 0.90 CTSL (0.44) POLBCRHBPCRHR2TDP1L3MBTL1
SCHEMBL7312581 0.90 ALDH1A1 (0.39) POLBCRHBPCRHR2TDP1L3MBTL1

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