SCHEMBL7310588

SCHEMBL7310588

CCCCC(NCC(CC(C)C)NC(=O)c1cccc(F)c1)C(=O)CSCc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
CTSL P07711 1/20 0.41
GAA P10253 1/20 0.37
USP2 O75604 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33

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
SCHEMBL7306338 0.94 ALDH1A1 (0.38) HPGDCTSLUSP2ALDH1A1MAPK1
SCHEMBL7301737 0.91 SMN1; SMN2 (0.44) CTSLUSP2ALDH1A1MAPK1POLB
SCHEMBL7313603 0.91 ALDH1A1 (0.40) HPGDCTSLUSP2ALDH1A1POLB
SCHEMBL7310667 0.91 ALDH1A1 (0.39) HPGDUSP2ALDH1A1POLBTSHR
SCHEMBL7303801 0.90 ALDH1A1 (0.40) HPGDCTSLUSP2ALDH1A1POLB
SCHEMBL7300617 0.90 ALDH1A1 (0.37) HPGDCTSLUSP2ALDH1A1POLB
SCHEMBL7306052 0.90 ALDH1A1 (0.38) HPGDCTSLUSP2ALDH1A1MAPK1
SCHEMBL7311648 0.88 PSMB5 (0.37) HPGDCTSLUSP2ALDH1A1MAPK1
SCHEMBL8686191 0.88 PSMB5 (0.37) HPGDCTSLUSP2ALDH1A1MAPK1
SCHEMBL7310578 0.87 CTSL (0.48) HPGDCTSLGAAUSP2MAPK1

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