SCHEMBL7326112

SCHEMBL7326112

COc1ccc(C(=O)OCC(=O)COC(=O)c2ccc(OC)cc2)cc1.C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.55
HDAC8 Q9BY41 1/20 0.54
CTSL P07711 5/20 0.54
CTSS P25774 3/20 0.54
CTSK P43235 3/20 0.54
F2 P00734 1/20 0.52
TACR1 P25103 2/20 0.51
CTSB P07858 3/20 0.50
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48

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
SCHEMBL7325940 0.92 CAPN1 (0.60) CAPN1CTSLCTSSCTSKTACR1
SCHEMBL7324809 0.88 CTSL (0.55) CAPN1CTSLCTSSCTSKF2
SCHEMBL7322013 0.87 CAPN1 (0.55) CAPN1HDAC8CTSLCTSSCTSK
SCHEMBL7325391 0.87 CAPN1 (0.56) CAPN1CTSLCTSSCTSKTACR1
SCHEMBL7326939 0.86 CTSL (0.56) CAPN1CTSLCTSSCTSKTACR1
SCHEMBL7324287 0.85 CAPN1 (0.53) CAPN1CTSLCTSSCTSKTACR1
SCHEMBL7321072 0.85 CAPN1 (0.55) CAPN1CTSLCTSSCTSKTACR1
SCHEMBL7321107 0.84 TACR1 (0.51) CAPN1CTSLCTSSCTSKF2
SCHEMBL10967811 0.84 CAPN1 (0.72) CAPN1CTSLCTSSCTSKTACR1
SCHEMBL31397615 0.84 CAPN1 (0.72) CAPN1CTSLCTSSCTSKTACR1

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