SCHEMBL7320091

SCHEMBL7320091

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O.O=C(C(F)(F)Oc1ccc(F)c(F)c1F)C(F)(F)Oc1ccc(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.46
PSMB5 P28074 3/20 0.46
CTSL P07711 7/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
BACE1 P56817 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
CENPE Q02224 1/20 0.41

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
SCHEMBL7316196 0.88 CAPN1 (0.52) CTSLCTSSCTSK
Hydrochloric Acid SCHEMBL7348813 0.84 LTA4H (0.42)
SCHEMBL7327681 0.81 PLAT (0.44) CTSL
SCHEMBL10119250 0.80 PSMB5 (0.65) PSMB5CTSLCTSSCTSKGPR139
SCHEMBL7318555 0.80 PSMB5 (0.65) PSMB5CTSLCTSSCTSKGPR139
SCHEMBL7317359 0.77 CTSL (0.44) CTSLCTSSCTSK
SCHEMBL10118961 0.77 USP30 (0.56) PSMB5CTSLCTSSCTSK
SCHEMBL7320814 0.77 CAPN1 (0.56) CTSLCTSK
SCHEMBL10118963 0.76 CTSL (0.50) KLKB1PSMB5CTSLCTSSCTSK
SCHEMBL7320085 0.76 PSMB5 (0.51) PSMB5CTSLCTSSCTSKBACE1

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