SCHEMBL7306227

SCHEMBL7306227

CCCCC(NCC(CC(C)C)NC(=O)CCOc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 7/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 6/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
USP2 O75604 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.39
APEX1 P27695 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7306220 0.88 CASP3 (0.47) POLBALDH1A1HPGDMAPTL3MBTL1
SCHEMBL7306233 0.88 CASP3 (0.47) POLBALDH1A1HPGDMAPTL3MBTL1
SCHEMBL7306946 0.86 ALDH1A1 (0.41) POLBALDH1A1HPGDMAPTL3MBTL1
SCHEMBL7436028 0.85 ALDH1A1 (0.41) POLBALDH1A1HPGDMAPTL3MBTL1
SCHEMBL7445067 0.85 ALDH1A1 (0.41) POLBALDH1A1HPGDMAPTL3MBTL1
SCHEMBL7303801 0.85 ALDH1A1 (0.40) POLBALDH1A1HPGDMAPTL3MBTL1
SCHEMBL7314560 0.84 ALDH1A1 (0.40) POLBALDH1A1HPGDMAPTL3MBTL1
SCHEMBL7438985 0.84 ALDH1A1 (0.40) POLBALDH1A1HPGDMAPTL3MBTL1
SCHEMBL7309694 0.84 HPGD (0.44) POLBALDH1A1HPGDMAPTL3MBTL1
SCHEMBL7431383 0.84 HPGD (0.40) POLBALDH1A1HPGDMAPTL3MBTL1

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