SCHEMBL7437147

SCHEMBL7437147

COc1ccccc1OCC(=O)NC(CNC(Cc1ccccc1)C(=O)CSCc1ccco1)CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
ALDH1A1 P00352 7/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 4/20 0.40
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL8683167 0.92 POLB (0.42) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL7309694 0.89 HPGD (0.44) HPGDALDH1A1HTTLMNAKDM4E
SCHEMBL7341642 0.88 HPGD (0.53) HPGDALDH1A1HTTLMNAKDM4E
SCHEMBL7341662 0.88 HPGD (0.53) HPGDALDH1A1HTTLMNAKDM4E
SCHEMBL7437142 0.88 HPGD (0.46) HPGDALDH1A1HTTLMNAKDM4E
SCHEMBL7437151 0.88 HPGD (0.46) HPGDALDH1A1HTTLMNAKDM4E
SCHEMBL7435252 0.87 ALDH1A1 (0.45) HPGDALDH1A1LMNAPOLBMAPT
SCHEMBL7301739 0.85 ALDH1A1 (0.43) HPGDALDH1A1HTTPOLBMAPT
SCHEMBL7312132 0.83 CTSG (0.43) HPGDALDH1A1LMNAPOLBMAPT
SCHEMBL7307063 0.82 PSMB1 (0.48) PSMB1PSMB5PSMB2

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