SCHEMBL7305250

SCHEMBL7305250

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.52
TAS1R1 Q7RTX1 3/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CTSK P43235 4/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
CAPN1 P07384 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL7348921 0.92 RAB9A (0.53) TAS1R3TAS1R1MEN1KMT2ANPC1
SCHEMBL7312803 0.91 CAPN1 (0.53) TAS1R3TAS1R1MEN1KMT2ANPC1
SCHEMBL7312816 0.91 CAPN1 (0.53) TAS1R3TAS1R1MEN1KMT2ANPC1
SCHEMBL7434947 0.89 TAS1R3 (0.50) TAS1R3TAS1R1MEN1KMT2ANPC1
SCHEMBL7300779 0.85 REN (0.51) PSMB1PSMB5PSMB2
SCHEMBL7300785 0.85 REN (0.51) PSMB1PSMB5PSMB2
SCHEMBL7305262 0.84 PSMB5 (0.43) PSMB1PSMB5PSMB2CTSL
SCHEMBL7303903 0.84 MMP2 (0.46) ALDH1A1PSMB1PSMB5PSMB2MMP2
SCHEMBL7301731 0.83 PSMB5 (0.47) CTSBPSMB1PSMB5PSMB2CTSL
SCHEMBL7301724 0.83 PSMB5 (0.47) CTSBPSMB1PSMB5PSMB2CTSL

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