SCHEMBL7326361

SCHEMBL7326361

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O.O=C(OC(O)C(=O)C(O)OC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.53
CTSB P07858 4/20 0.53
CTSS P25774 2/20 0.53
CAPN1 P07384 2/20 0.52
F2 P00734 1/20 0.50
TACR1 P25103 2/20 0.48
CTSK P43235 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
SCHEMBL7324809 0.88 CTSL (0.55) CTSLCTSBCTSSCAPN1F2
SCHEMBL31397615 0.82 CAPN1 (0.72) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL7281206 0.82 CAPN1 (0.72) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL5484209 0.82 CAPN1 (0.72) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL10967811 0.82 CAPN1 (0.72) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL9088735 0.82 CAPN1 (0.72) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL4504085 0.78 CAPN1 (0.67) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL7204154 0.78 CAPN1 (0.67) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL7316923 0.78 CAPN1 (0.67) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL7313795 0.78 CAPN1 (0.67) CTSLCTSBCTSSCAPN1TACR1

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