SCHEMBL7327563

SCHEMBL7327563

COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)O)cc1.Cc1cc(C)c(C(=O)OCC(=O)COC(=O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.53
F2 P00734 1/20 0.53
CTSK P43235 3/20 0.50
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
CTSB P07858 2/20 0.47
ATM Q13315 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
SCHEMBL7321639 0.94 CTSL (0.52) CTSKCTSLCTSSCTSB
SCHEMBL7324547 0.90 ALDH1A1 (0.52) CTSKCTSLCTSSITGB3ITGA2B
SCHEMBL7324267 0.88 CAPN1 (0.59) CTSKCTSLCTSSCTSB
SCHEMBL7323822 0.88 CTSL (0.48) CTSKCTSLCTSSCTSB
SCHEMBL7318489 0.87 CAPN1 (0.55) CTSKCTSLCTSSCTSB
SCHEMBL7328401 0.86 PPARA (0.54) CTSKCTSLCTSSCTSB
SCHEMBL14684392 0.85 HDAC8 (0.64) HDAC8F2CTSKCTSLCTSS
SCHEMBL7317573 0.85 HDAC8 (0.64) HDAC8F2CTSKCTSLCTSS
SCHEMBL7321607 0.85 ECE1 (0.53) CTSKCTSLCTSSITGB3ITGA2B
SCHEMBL7318900 0.83 CTSL (0.55) CTSKCTSLCTSSCTSB

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-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
US-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed