SCHEMBL7441573

SCHEMBL7441573

CCCCC(NC(=O)C(CC(C)C)NC(=O)COc1ccccc1Cl)C(=O)CSCc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
CASP1 P29466 7/20 0.39
CASP3 P42574 7/20 0.39
CASP7 P55210 7/20 0.39
CASP6 P55212 7/20 0.39
CASP8 Q14790 7/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7441563 1.00 POLB (0.40) POLBALDH1A1MEN1KMT2AHPGD
SCHEMBL7312203 0.94 ALDH1A1 (0.38) POLBALDH1A1HPGDRAB9ACASP1
SCHEMBL7312214 0.94 ALDH1A1 (0.38) POLBALDH1A1HPGDRAB9ACASP1
SCHEMBL7301044 0.93 HPGD (0.49) POLBALDH1A1HPGDRAB9ACASP1
SCHEMBL7301037 0.93 HPGD (0.49) POLBALDH1A1HPGDRAB9ACASP1
SCHEMBL7431376 0.92 HPGD (0.41) POLBALDH1A1MEN1KMT2AHPGD
SCHEMBL7431388 0.92 HPGD (0.41) POLBALDH1A1MEN1KMT2AHPGD
SCHEMBL7436020 0.92 HPGD (0.46) POLBALDH1A1HPGDRAB9ACASP1
SCHEMBL7436014 0.92 HPGD (0.46) POLBALDH1A1HPGDRAB9ACASP1
SCHEMBL7435041 0.91 LMNA (0.39) POLBALDH1A1HPGDCASP1CASP3

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 2 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-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed