SCHEMBL7303790

SCHEMBL7303790

CC(CCCNC(Cc1ccccc1)C(=O)CSCc1ccco1)N(C)C(=O)COc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
MAPT P10636 5/20 0.44
POLB P06746 5/20 0.44
USP2 O75604 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 2/20 0.35
THRB P10828 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB2 P49721 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7444212 0.95 ALDH1A1 (0.42) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7301637 0.94 ALDH1A1 (0.44) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7311207 0.91 ALDH1A1 (0.45) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7302476 0.91 MAPT (0.44) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7315651 0.88 MAPT (0.46) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7309575 0.86 ALDH1A1 (0.41) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7312912 0.81 ALDH1A1 (0.42) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7435308 0.78 SMN1; SMN2 (0.41) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL7303759 0.77 ALDH1A1 (0.40) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7350634 0.77 ALDH1A1 (0.58) ALDH1A1MAPTPOLBUSP2L3MBTL1

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