SCHEMBL7323388

SCHEMBL7323388

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.O=C(COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.57
CTSK P43235 8/20 0.55
CTSL P07711 7/20 0.55
CTSB P07858 3/20 0.51
HTRA1 Q92743 1/20 0.50
CTSS P25774 2/20 0.49

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
SCHEMBL7318494 0.96 CTSK (0.54) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7314988 0.89 CAPN1 (0.53) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7319696 0.87 TACR1 (0.46) CTSKCTSLCTSBCTSS
SCHEMBL7320994 0.85 PPARA (0.53) CTSKCTSLCTSBCTSS
SCHEMBL7314067 0.85 CTSL (0.45) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7314076 0.85 CTSL (0.45) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7324267 0.84 CAPN1 (0.59) CAPN1CTSKCTSLCTSBHTRA1
SCHEMBL27809377 0.83 CAPN1 (0.78) CAPN1CTSKCTSLCTSBHTRA1
SCHEMBL7327426 0.83 CAPN1 (0.78) CAPN1CTSKCTSLCTSBHTRA1
SCHEMBL9828791 0.83 CAPN1 (0.78) CAPN1CTSKCTSLCTSBHTRA1

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