SCHEMBL7327434

SCHEMBL7327434

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)O.Cc1cc(C)c(C(=O)OCC(=O)COC(=O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.49
GNPAT O15228 1/20 0.46
MMP12 P39900 1/20 0.45
MME P08473 1/20 0.43
CTSB P07858 5/20 0.43
FOLH1 Q04609 1/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 2/20 0.41
CTSK P43235 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL7323822 0.92 CTSL (0.48) TACR1CTSBCTSSCTSLCTSK
SCHEMBL7321639 0.85 CTSL (0.52) TACR1CTSBCTSSCTSLCTSK
SCHEMBL7318238 0.83 GNPAT (0.61) TACR1GNPATMMP12MMECTSB
SCHEMBL7318248 0.83 GNPAT (0.61) TACR1GNPATMMP12MMECTSB
SCHEMBL7324547 0.81 ALDH1A1 (0.52) TACR1CTSBCTSSCTSLCTSK
SCHEMBL7327563 0.80 HDAC8 (0.53) CTSBCTSSCTSLCTSK
SCHEMBL7318489 0.80 CAPN1 (0.55) TACR1MMECTSBCTSSCTSL
SCHEMBL7328439 0.80 GNPAT (0.55) TACR1GNPATMMP12MMECTSB
SCHEMBL7324267 0.80 CAPN1 (0.59) CTSBCTSSCTSLCTSK
SCHEMBL7328401 0.79 PPARA (0.54) CTSBCTSSCTSLCTSKPPARA

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