SCHEMBL7325940

SCHEMBL7325940

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O.O=C(COC(=O)c1ccccc1)COC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.60
TACR1 P25103 2/20 0.59
CTSL P07711 6/20 0.55
CTSB P07858 3/20 0.55
CTSK P43235 3/20 0.55
CTSS P25774 2/20 0.55
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52

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
SCHEMBL7326112 0.92 CAPN1 (0.55) CAPN1TACR1CTSLCTSBCTSK
SCHEMBL7325391 0.92 CAPN1 (0.56) CAPN1TACR1CTSLCTSBCTSK
SCHEMBL7326939 0.90 CTSL (0.56) CAPN1TACR1CTSLCTSBCTSK
SCHEMBL7324809 0.90 CTSL (0.55) CAPN1TACR1CTSLCTSBCTSK
SCHEMBL31397615 0.89 CAPN1 (0.72) CAPN1TACR1CTSLCTSBCTSK
SCHEMBL5484209 0.89 CAPN1 (0.72) CAPN1TACR1CTSLCTSBCTSK
SCHEMBL10967811 0.89 CAPN1 (0.72) CAPN1TACR1CTSLCTSBCTSK
SCHEMBL9088735 0.89 CAPN1 (0.72) CAPN1TACR1CTSLCTSBCTSK
SCHEMBL7281206 0.89 CAPN1 (0.72) CAPN1TACR1CTSLCTSBCTSK
SCHEMBL7324287 0.89 CAPN1 (0.53) CAPN1TACR1CTSLCTSBCTSK

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