SCHEMBL7340905

SCHEMBL7340905

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
NMBR P28336 1/20 0.41
CTSL P07711 3/20 0.40
CTSK P43235 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.40
TYR P14679 2/20 0.40
HPGD P15428 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
SCHEMBL7340910 1.00 PSMB1 (0.42) PSMB1PSMB5PSMB2ALDH1A1POLB
SCHEMBL7303217 0.94 CAPN1 (0.48) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL7430388 0.94 CAPN1 (0.48) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL7349120 0.89 CTSB (0.43) ALDH1A1POLBCTSLCTSKMAPT
SCHEMBL9185368 0.89 CTSB (0.43) ALDH1A1POLBCTSLCTSKMAPT
SCHEMBL7347081 0.89 TACR1 (0.49) ALDH1A1CTSLCTSKCTSBCTSS
SCHEMBL7347088 0.89 TACR1 (0.49) ALDH1A1CTSLCTSKCTSBCTSS
SCHEMBL7303213 0.88 PSMB1 (0.41) PSMB1PSMB5PSMB2ALDH1A1POLB
SCHEMBL7304428 0.86 CAPN1 (0.57) CTSLCTSKCTSBCTSS
SCHEMBL7312633 0.86 CAPN1 (0.52) CTSLCTSKCTSB

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-0603873-B1 Aminoketone derivatives MITSUBISHI CHEM CORP (JP) 1998-04-15 EP disclosed
US-5424325-A Inibitors of thiol protease and may be used as therapeutic agents for treating muscular dystrophy, cataracts, strokes MITSUBISHI KASEI CORPORATION (JP) 1995-06-13 US disclosed
EP-0603873-A1 Aminoketone derivatives Mitsubishi Chemical Corporation (JP) 1994-06-29 EP disclosed