SCHEMBL7327620

SCHEMBL7327620

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

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.64
REN P00797 2/20 0.61
CTSB P07858 4/20 0.60
CTSL P07711 3/20 0.60
CTSK P43235 2/20 0.60
CTSS P25774 1/20 0.60
CASP1 P29466 1/20 0.59
MME P08473 1/20 0.59
ECE1 P42892 1/20 0.59
TACR1 P25103 2/20 0.58
CASP3 P42574 1/20 0.57
CASP7 P55210 1/20 0.57

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
SCHEMBL5491506 0.96 CASP1 (0.65) CAPN1RENCTSBCTSLCTSK
SCHEMBL9088735 0.93 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCTSS
SCHEMBL31397615 0.93 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCTSS
SCHEMBL10967811 0.93 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCTSS
SCHEMBL7281206 0.93 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCTSS
SCHEMBL5484209 0.93 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCTSS
SCHEMBL7275434 0.91 ECE1 (0.65) CAPN1RENCTSBCTSLCTSK
SCHEMBL7888072 0.90 CTSK (0.60) CAPN1RENCTSBCTSLCTSK
SCHEMBL18472717 0.90 CTSK (0.60) CAPN1RENCTSBCTSLCTSK
SCHEMBL3209667 0.90 CTSB (0.63) CAPN1RENCTSBCTSLCTSK

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