SCHEMBL7314067

SCHEMBL7314067

CC(OCc1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)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 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.45
CTSB P07858 3/20 0.45
CTSK P43235 2/20 0.45
CTSS P25774 1/20 0.45
TACR1 P25103 2/20 0.43
CAPN1 P07384 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL7314076 1.00 CTSL (0.45) CTSLCTSBCTSKCTSSTACR1
SCHEMBL7314988 0.89 CAPN1 (0.53) CTSLCTSBCTSKCTSSTACR1
SCHEMBL7323388 0.85 CAPN1 (0.57) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7318468 0.85 CTSL (0.46) CTSLCTSBCTSKCTSSTACR1
SCHEMBL7318474 0.85 CTSL (0.46) CTSLCTSBCTSKCTSSTACR1
SCHEMBL7319696 0.84 TACR1 (0.46) CTSLCTSBCTSKCTSSTACR1
SCHEMBL7327445 0.84 CTSL (0.61) CTSLCTSBCTSKCTSSTACR1
SCHEMBL7327439 0.84 CTSL (0.61) CTSLCTSBCTSKCTSSTACR1
SCHEMBL7320502 0.83 CTSL (0.52) CTSLCTSBCTSKCTSSTACR1
SCHEMBL7318494 0.82 CTSK (0.54) CTSLCTSBCTSKCTSSCAPN1

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