SCHEMBL7315906

SCHEMBL7315906

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)O.O=C(COc1c(F)c(F)c(F)c(F)c1F)COc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.51
GNPAT O15228 1/20 0.48
MME P08473 2/20 0.46
FOLH1 Q04609 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
PPARA Q07869 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
GPR34 Q9UPC5 1/20 0.42
GPR132 Q9UNW8 1/20 0.41
TACR1 P25103 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL7325949 0.90 CTSL (0.49) CTSSCTSKCTSLCTSBTACR1
SCHEMBL7318238 0.87 GNPAT (0.61) MMP12GNPATMMEFOLH1CTSS
SCHEMBL7318248 0.87 GNPAT (0.61) MMP12GNPATMMEFOLH1CTSS
SCHEMBL7328439 0.83 GNPAT (0.55) MMP12GNPATMMEFOLH1CTSS
SCHEMBL28001170 0.78 FOLH1 (0.64) MMP12GNPATMMEFOLH1CTSS
SCHEMBL1942200 0.78 FOLH1 (0.64) MMP12GNPATMMEFOLH1CTSS
SCHEMBL6931337 0.78 FOLH1 (0.64) MMP12GNPATMMEFOLH1CTSS
SCHEMBL7326532 0.78 HDAC8 (0.57) CTSSCTSKCTSLCTSB
SCHEMBL7327434 0.78 TACR1 (0.49) MMP12GNPATMMEFOLH1CTSS
SCHEMBL7316192 0.78 CAPN1 (0.57) MMECTSSCTSKCTSLCTSB

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