SCHEMBL7306407

SCHEMBL7306407

CCCCC(NCC(CC(C)C)NC(=O)c1cc(OC)cc(OC)c1)C(=O)CSCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 3/20 0.40
ALOX12 P18054 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
RAB9A P51151 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL7300826 0.93 TAS1R3 (0.42) POLBHPGDALDH1A1LMNAUSP2
SCHEMBL7442933 0.90 ALDH1A1 (0.44) POLBHPGDALDH1A1USP2MAPT
SCHEMBL7306338 0.89 ALDH1A1 (0.38) POLBHPGDALDH1A1USP2MAPT
SCHEMBL7303801 0.89 ALDH1A1 (0.40) POLBHPGDALDH1A1USP2MAPT
SCHEMBL7300617 0.88 ALDH1A1 (0.37) POLBHPGDALDH1A1USP2MAPT
SCHEMBL7306413 0.87 POLB (0.50) POLBHPGDALDH1A1ALOX12LMNA
SCHEMBL7306399 0.87 POLB (0.50) POLBHPGDALDH1A1ALOX12LMNA
SCHEMBL7299096 0.87 ALDH1A1 (0.43) POLBHPGDALDH1A1GAAUSP2
SCHEMBL7301737 0.87 SMN1; SMN2 (0.44) POLBALDH1A1USP2MAPTHSD17B10
SCHEMBL7313603 0.86 ALDH1A1 (0.40) POLBHPGDALDH1A1USP2MAPT

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