SCHEMBL7306949

SCHEMBL7306949

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(OC)cc1)C(=O)CSCc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 5/20 0.41
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 2/20 0.41
CASP3 P42574 6/20 0.39
CASP1 P29466 5/20 0.39
CASP7 P55210 5/20 0.39
CASP6 P55212 5/20 0.39
CASP8 Q14790 5/20 0.39
CTSD P07339 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL7431367 1.00 HPGD (0.42) HPGDSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL7438992 0.94 POLB (0.40) HPGDSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL7438981 0.94 POLB (0.40) HPGDSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL7302463 0.94 ALDH1A1 (0.48) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL7302479 0.94 ALDH1A1 (0.48) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL7304720 0.93 ALDH1A1 (0.40) HPGDSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL7302614 0.93 ALDH1A1 (0.40) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL7445078 0.93 ALDH1A1 (0.40) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL7436035 0.93 ALDH1A1 (0.40) HPGDSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL7436014 0.90 HPGD (0.46) HPGDSMN1; SMN2ALDH1A1POLBMAPT

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