SCHEMBL7324809

SCHEMBL7324809

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.55
CTSB P07858 4/20 0.55
CTSS P25774 2/20 0.55
CAPN1 P07384 2/20 0.54
F2 P00734 1/20 0.51
TACR1 P25103 2/20 0.50
CTSK P43235 1/20 0.49
MME P08473 1/20 0.47
ECE1 P42892 1/20 0.47

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
SCHEMBL7325391 0.90 CAPN1 (0.56) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL7325940 0.90 CAPN1 (0.60) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL7324287 0.88 CAPN1 (0.53) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL7326112 0.88 CAPN1 (0.55) CTSLCTSBCTSSCAPN1F2
SCHEMBL7326361 0.88 CTSL (0.53) CTSLCTSBCTSSCAPN1F2
SCHEMBL7322424 0.85 CAPN1 (0.54) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL7312213 0.84 CAPN1 (0.52) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL7326939 0.84 CTSL (0.56) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL7320129 0.84 CAPN1 (0.52) CTSLCTSBCTSSCAPN1TACR1
SCHEMBL7318938 0.84 CAPN1 (0.54) 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