SCHEMBL7436014

SCHEMBL7436014

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1OC)C(=O)CSCc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
CASP1 P29466 7/20 0.41
CASP3 P42574 7/20 0.41
CASP7 P55210 7/20 0.41
CASP6 P55212 6/20 0.41
CASP8 Q14790 6/20 0.41
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 5/20 0.40
POLB P06746 4/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSD17B10 Q99714 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
KDM4E B2RXH2 2/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7436020 1.00 HPGD (0.46) HPGDCASP1CASP3CASP7CASP6
SCHEMBL7431388 0.92 HPGD (0.41) HPGDCASP1CASP3CASP7CASP6
SCHEMBL7431376 0.92 HPGD (0.41) HPGDCASP1CASP3CASP7CASP6
SCHEMBL7441563 0.92 POLB (0.40) HPGDCASP1CASP3CASP7CASP6
SCHEMBL7435055 0.92 LMNA (0.39) HPGDCASP1CASP3CASP7CASP6
SCHEMBL7441573 0.92 POLB (0.40) HPGDCASP1CASP3CASP7CASP6
SCHEMBL7435041 0.92 LMNA (0.39) HPGDCASP1CASP3CASP7CASP6
SCHEMBL7431367 0.90 HPGD (0.42) HPGDCASP1CASP3CASP7CASP6
SCHEMBL7306949 0.90 HPGD (0.42) HPGDCASP1CASP3CASP7CASP6
SCHEMBL7302479 0.90 ALDH1A1 (0.48) HPGDCASP1CASP3CASP7CASP6

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 3 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