SCHEMBL7347441

SCHEMBL7347441

CCCC[C@H](NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(O)c1c(-c2ccc(F)cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.51
PSMB1 P20618 1/20 0.49
REN P00797 1/20 0.48
CTSL P07711 5/20 0.47
CTSS P25774 4/20 0.47
CAPN1 P07384 2/20 0.47
CTSB P07858 1/20 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
SCHEMBL7347430 1.00 CTSK (0.51) CTSKPSMB1RENCTSLCTSS
SCHEMBL7340230 0.95 CTSK (0.56) CTSKPSMB1RENCTSLCTSS
SCHEMBL7338061 0.84 REN (0.47) CTSKPSMB1RENCTSLCTSS
SCHEMBL7338528 0.82 CTSK (0.59) CTSKPSMB1CTSLCTSSCAPN1
SCHEMBL7338539 0.82 CTSK (0.59) CTSKPSMB1CTSLCTSSCAPN1
SCHEMBL7335456 0.81 CTSK (0.51) CTSKPSMB1RENCTSLCTSS
SCHEMBL7344926 0.81 REN (0.51) CTSKRENCTSLCTSS
SCHEMBL7335474 0.81 CTSK (0.51) CTSKPSMB1RENCTSLCTSS
SCHEMBL7335470 0.81 CTSK (0.51) CTSKPSMB1RENCTSLCTSS
SCHEMBL7337224 0.81 CTSK (0.51) CTSKPSMB1RENCTSLCTSS

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
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
EP-0520427-A1 Cyclopropenone derivatives Mitsubishi Chemical Corporation (JP) 1992-12-30 EP disclosed