SCHEMBL7328439

SCHEMBL7328439

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)O.O=C(CBr)CBr

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.55
MME P08473 2/20 0.52
MMP12 P39900 1/20 0.50
FOLH1 Q04609 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
PPARA Q07869 2/20 0.48
TACR1 P25103 1/20 0.46
MMP9 P14780 1/20 0.45
MMP14 P50281 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL7318238 0.93 GNPAT (0.61) GNPATMMEMMP12FOLH1CTSS
SCHEMBL7318248 0.93 GNPAT (0.61) GNPATMMEMMP12FOLH1CTSS
SCHEMBL7326797 0.88 TACR1 (0.56) CTSSCTSKTACR1CTSLCTSB
SCHEMBL7318482 0.86 MME (0.51) MMEFOLH1PPARAMMP9MMP14
SCHEMBL6931337 0.84 FOLH1 (0.64) GNPATMMEMMP12FOLH1CTSS
SCHEMBL1942200 0.84 FOLH1 (0.64) GNPATMMEMMP12FOLH1CTSS
SCHEMBL28001170 0.84 FOLH1 (0.64) GNPATMMEMMP12FOLH1CTSS
SCHEMBL7315906 0.83 MMP12 (0.51) GNPATMMEMMP12FOLH1CTSS
SCHEMBL7326801 0.82 CTSL (0.58) CTSSCTSKPPARATACR1CTSL
SCHEMBL1081111 0.80 GNPAT (0.73) GNPATMMECTSSCTSK

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