SCHEMBL7335474

SCHEMBL7335474

CCCCC=Cc1c([C@H](O)[C@H](CCCC)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.51
REN P00797 1/20 0.49
PSMB1 P20618 1/20 0.49
CTSL P07711 8/20 0.47
CTSB P07858 4/20 0.47
CAPN1 P07384 3/20 0.47
CTSS P25774 2/20 0.47
CAPN2 P17655 1/20 0.47

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
SCHEMBL7335456 1.00 CTSK (0.51) CTSKRENPSMB1CTSLCTSB
SCHEMBL7337224 1.00 CTSK (0.51) CTSKRENPSMB1CTSLCTSB
SCHEMBL7335470 1.00 CTSK (0.51) CTSKRENPSMB1CTSLCTSB
SCHEMBL7340230 0.85 CTSK (0.56) CTSKRENPSMB1CTSLCTSB
SCHEMBL7338539 0.82 CTSK (0.59) CTSKPSMB1CTSLCTSBCAPN1
SCHEMBL7338528 0.82 CTSK (0.59) CTSKPSMB1CTSLCTSBCAPN1
SCHEMBL7342219 0.82 REN (0.44) CTSKRENCTSL
SCHEMBL7342207 0.82 REN (0.44) CTSKRENCTSL
SCHEMBL7342193 0.82 REN (0.44) CTSKRENCTSL
SCHEMBL7347430 0.81 CTSK (0.51) CTSKRENPSMB1CTSLCTSB

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