SCHEMBL7322353

SCHEMBL7322353

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O.O=C(COc1c(F)c(F)cc(F)c1F)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.55
CTSL P07711 5/20 0.52
CTSB P07858 4/20 0.52
CTSS P25774 2/20 0.50
CTSK P43235 1/20 0.50
MME P08473 1/20 0.50
ECE1 P42892 1/20 0.50
TACR1 P25103 2/20 0.48
CASP3 P42574 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 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
SCHEMBL7316192 0.93 CAPN1 (0.57) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL7317304 0.86 CAPN1 (0.57) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL5484209 0.84 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL9088735 0.84 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL31397615 0.84 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL7281206 0.84 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL10967811 0.84 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL7318946 0.83 CAPN1 (0.56) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL9818598 0.83 CAPN1 (0.54) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL7318276 0.82 CAPN1 (0.55) CAPN1CTSLCTSBCTSSCTSK

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