SCHEMBL7314560

SCHEMBL7314560

CCCCC(NCC(CC(C)C)NC(=O)COc1cccc(C)c1)C(=O)CSCc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MAPT P10636 7/20 0.40
POLB P06746 6/20 0.40
USP2 O75604 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL7438985 0.93 ALDH1A1 (0.40) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7439502 0.92 ALDH1A1 (0.39) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7314551 0.89 KMT2A (0.40) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7314563 0.89 KMT2A (0.40) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7306946 0.89 ALDH1A1 (0.41) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7445067 0.88 ALDH1A1 (0.41) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7436028 0.88 ALDH1A1 (0.41) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7431383 0.87 HPGD (0.40) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7301737 0.86 SMN1; SMN2 (0.44) ALDH1A1MAPTPOLBUSP2HSD17B10
SCHEMBL7310960 0.85 ALDH1A1 (0.42) 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