SCHEMBL7320129

SCHEMBL7320129

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O.O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.52
CTSL P07711 5/20 0.50
CTSK P43235 2/20 0.50
TACR1 P25103 2/20 0.48
CTSB P07858 3/20 0.48
CTSS P25774 1/20 0.48
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46

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
SCHEMBL7324658 0.89 CAPN1 (0.53) CAPN1CTSLCTSKTACR1CTSB
SCHEMBL7325391 0.88 CAPN1 (0.56) CAPN1CTSLCTSKTACR1CTSB
SCHEMBL7325940 0.88 CAPN1 (0.60) CAPN1CTSLCTSKTACR1CTSB
SCHEMBL7324287 0.85 CAPN1 (0.53) CAPN1CTSLCTSKTACR1CTSB
SCHEMBL7314988 0.85 CAPN1 (0.53) CAPN1CTSLCTSKTACR1CTSB
SCHEMBL7324809 0.84 CTSL (0.55) CAPN1CTSLCTSKTACR1CTSB
SCHEMBL7326112 0.83 CAPN1 (0.55) CAPN1CTSLCTSKTACR1CTSB
SCHEMBL7318946 0.83 CAPN1 (0.56) CAPN1CTSLCTSKTACR1CTSB
SCHEMBL7326049 0.82 CAPN1 (0.52) CAPN1CTSLCTSKTACR1CTSB
SCHEMBL10967811 0.82 CAPN1 (0.72) CAPN1CTSLCTSKTACR1CTSB

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