SCHEMBL7345352

SCHEMBL7345352

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)c1cc1=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.61
CTSL P07711 8/20 0.60
CAPN1 P07384 2/20 0.59
PSMB1 P20618 1/20 0.59
CTSS P25774 4/20 0.58
CTSB P07858 3/20 0.58

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
SCHEMBL7345360 1.00 CTSK (0.61) CTSKCTSLCAPN1PSMB1CTSS
SCHEMBL7344663 0.94 CTSK (0.64) CTSKCTSLCAPN1PSMB1CTSS
SCHEMBL7344647 0.94 CTSK (0.64) CTSKCTSLCAPN1PSMB1CTSS
SCHEMBL7338528 0.88 CTSK (0.59) CTSKCTSLCAPN1PSMB1CTSS
SCHEMBL7338539 0.88 CTSK (0.59) CTSKCTSLCAPN1PSMB1CTSS
SCHEMBL6444976 0.87 CTSK (0.72) CTSKCTSLCAPN1PSMB1CTSS
SCHEMBL8951282 0.85 CAPN1 (0.66) CTSKCTSLCAPN1PSMB1CTSS
SCHEMBL7327426 0.80 CAPN1 (0.78) CTSKCTSLCAPN1CTSSCTSB
SCHEMBL27809377 0.80 CAPN1 (0.78) CTSKCTSLCAPN1CTSSCTSB
SCHEMBL9828791 0.80 CAPN1 (0.78) CTSKCTSLCAPN1CTSSCTSB

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
US-5416117-A Protease inhibitor MITSUBISHI KASEI CORPORATION (JP) 1995-05-16 US disclosed
EP-0520427-B1 Cyclopropenone derivatives MITSUBISHI CHEM IND (JP) 1994-12-14 EP disclosed
US-5328909-A Protease inhibitors MITSUBISHI KASEI CORPORATION (JP) 1994-07-12 US disclosed
EP-0520427-A1 Cyclopropenone derivatives Mitsubishi Chemical Corporation (JP) 1992-12-30 EP disclosed