SCHEMBL7338528

SCHEMBL7338528

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.59
PSMB1 P20618 1/20 0.55
CTSL P07711 5/20 0.54
CTSS P25774 4/20 0.54
CTSB P07858 1/20 0.54
CAPN1 P07384 2/20 0.53
CAPN2 P17655 1/20 0.53

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
SCHEMBL7338539 1.00 CTSK (0.59) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL7344663 0.90 CTSK (0.64) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL7344647 0.90 CTSK (0.64) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL7345360 0.88 CTSK (0.61) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL7345352 0.88 CTSK (0.61) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL8395851 0.88 CTSL (0.54) CTSKCTSLCTSSCTSB
SCHEMBL7334973 0.87 CTSK (0.58) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL7334959 0.87 CTSK (0.58) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL7340230 0.86 CTSK (0.56) CTSKPSMB1CTSLCTSSCTSB
SCHEMBL8972325 0.84 CTSK (0.63) CTSKPSMB1CTSLCTSSCTSB

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