SCHEMBL7306052

SCHEMBL7306052

CCCCC(NCC(CC(C)C)NC(=O)c1c(F)cccc1F)C(=O)CSCc1ccco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
POLB P06746 4/20 0.38
MAPT P10636 3/20 0.36
USP2 O75604 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB2 P49721 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 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
SCHEMBL7310689 0.94 ALDH1A1 (0.35) ALDH1A1POLBMAPTUSP2HSD17B10
SCHEMBL7429973 0.93 ALDH1A1 (0.35) ALDH1A1POLBMAPTUSP2HSD17B10
SCHEMBL7312708 0.91 ALDH1A1 (0.37) ALDH1A1POLBMAPTUSP2HSD17B10
SCHEMBL7311340 0.91 POLB (0.40) ALDH1A1POLBMAPTUSP2HSD17B10
SCHEMBL7310588 0.90 HPGD (0.41) ALDH1A1POLBMAPTUSP2HSD17B10
SCHEMBL7306338 0.89 ALDH1A1 (0.38) ALDH1A1POLBMAPTUSP2HSD17B10
SCHEMBL7300617 0.89 ALDH1A1 (0.37) ALDH1A1POLBMAPTUSP2HSD17B10
SCHEMBL7313603 0.89 ALDH1A1 (0.40) ALDH1A1POLBMAPTUSP2HSD17B10
SCHEMBL7310667 0.88 ALDH1A1 (0.39) ALDH1A1POLBMAPTUSP2HSD17B10
SCHEMBL7311319 0.88 ALDH1A1 (0.37) ALDH1A1POLBMAPTUSP2HSD17B10

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