SCHEMBL7314563

SCHEMBL7314563

CCCCC(NC(=O)C(CC(C)C)NC(=O)COc1cccc(C)c1)C(=O)CSCc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 7/20 0.40
MAPT P10636 6/20 0.40
POLB P06746 5/20 0.40
USP2 O75604 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
BLM P54132 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP3 P42574 4/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
CASP6 P55212 3/20 0.39
CASP8 Q14790 3/20 0.39
CTSD P07339 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL7314551 1.00 KMT2A (0.40) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7438981 0.92 POLB (0.40) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7438992 0.92 POLB (0.40) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7302463 0.92 ALDH1A1 (0.48) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7302479 0.92 ALDH1A1 (0.48) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7439506 0.92 USP2 (0.39) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7311889 0.92 USP2 (0.39) ALDH1A1MAPTPOLBUSP2L3MBTL1
SCHEMBL7431367 0.89 HPGD (0.42) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7306949 0.89 HPGD (0.42) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7314560 0.89 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPTPOLB

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-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