SCHEMBL7326532

SCHEMBL7326532

COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)O)cc1.O=C(COc1c(F)c(F)c(F)c(F)c1F)COc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.57
ITGB3 P05106 8/20 0.53
ITGA2B P08514 8/20 0.53
F2 P00734 1/20 0.53
CTSL P07711 3/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
ATM Q13315 1/20 0.49
CTSB P07858 1/20 0.48

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
SCHEMBL7317573 0.88 HDAC8 (0.64) HDAC8ITGB3ITGA2BF2CTSL
SCHEMBL14684392 0.88 HDAC8 (0.64) HDAC8ITGB3ITGA2BF2CTSL
SCHEMBL7320811 0.87 CAPN1 (0.62) CTSLCTSSCTSKCTSB
SCHEMBL7325949 0.86 CTSL (0.49) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL7316192 0.86 CAPN1 (0.57) CTSLCTSSCTSKCTSB
SCHEMBL7326079 0.84 HDAC8 (0.58) HDAC8ITGB3ITGA2BF2CTSL
SCHEMBL7326086 0.84 HDAC8 (0.60) HDAC8ITGB3ITGA2BF2CTSL
SCHEMBL9716778 0.83 ATM (0.67) HDAC8ITGB3ITGA2BF2CTSL
SCHEMBL7044299 0.83 ATM (0.67) HDAC8ITGB3ITGA2BF2CTSL
SCHEMBL9716776 0.83 ATM (0.67) HDAC8ITGB3ITGA2BF2CTSL

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
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
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed