SCHEMBL7320814

SCHEMBL7320814

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.O=C(C(F)(F)Oc1ccc(F)c(F)c1F)C(F)(F)Oc1ccc(F)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.56
CTSL P07711 6/20 0.52
CTSB P07858 3/20 0.52
CTSK P43235 5/20 0.52
HTRA1 Q92743 1/20 0.49
MME P08473 1/20 0.49
ECE1 P42892 1/20 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
SCHEMBL7322784 0.96 CTSK (0.53) CAPN1CTSLCTSBCTSKMME
SCHEMBL7316196 0.89 CAPN1 (0.52) CAPN1CTSLCTSBCTSKMME
SCHEMBL7326540 0.89 F2 (0.49) CTSLCTSK
SCHEMBL7325956 0.87 MMP12 (0.47) CTSLCTSBCTSK
SCHEMBL7323260 0.85 ECE1 (0.53) CTSLCTSBECE1
SCHEMBL7317359 0.85 CTSL (0.44) CAPN1CTSLCTSBCTSKMME
SCHEMBL7326248 0.83 CTSL (0.51) CTSLCTSBCTSKMMEECE1
SCHEMBL27809377 0.83 CAPN1 (0.78) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL7327426 0.83 CAPN1 (0.78) CAPN1CTSLCTSBCTSKHTRA1
SCHEMBL9828791 0.83 CAPN1 (0.78) CAPN1CTSLCTSBCTSKHTRA1

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