SCHEMBL7306413

SCHEMBL7306413

CCCCC(NC(=O)C(CC(C)C)NC(=O)c1cc(OC)cc(OC)c1)C(=O)CSCc1ccco1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
CTSL P07711 5/20 0.39
CTSS P25774 4/20 0.39
CTSK P43235 4/20 0.39
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL7306399 1.00 POLB (0.50) POLBHPGDALDH1A1ALOX12LMNA
SCHEMBL7300831 0.93 CTSS (0.44) POLBHPGDALDH1A1LMNACTSL
SCHEMBL7300813 0.93 CTSS (0.44) POLBHPGDALDH1A1LMNACTSL
SCHEMBL7306331 0.89 CTSL (0.39) POLBHPGDALDH1A1CTSLCTSS
SCHEMBL7306348 0.89 CTSL (0.39) POLBHPGDALDH1A1CTSLCTSS
SCHEMBL7442938 0.89 MAPT (0.44) POLBHPGDALDH1A1CTSLCTSS
SCHEMBL7305629 0.89 MAPT (0.44) POLBHPGDALDH1A1CTSLCTSS
SCHEMBL7303804 0.88 POLB (0.48) POLBALDH1A1CTSLCTSSCTSK
SCHEMBL7303780 0.88 POLB (0.48) POLBALDH1A1CTSLCTSSCTSK
SCHEMBL7300622 0.88 POLB (0.37) POLBHPGDALDH1A1CTSLCTSK

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