SCHEMBL8488194

SCHEMBL8488194

CC(C)(C)OC(=O)NC(Cc1c[nH]cn1)C([O])=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.39
CTSK P43235 7/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ACE P12821 1/20 0.38
PTPN1 P18031 1/20 0.37
AKT1 P31749 1/20 0.37
SSTR3 P32745 1/20 0.37
TACR1 P25103 1/20 0.36
PPARA Q07869 2/20 0.36
CCKAR P32238 1/20 0.36
CCKBR P32239 1/20 0.36
PPARG P37231 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL2853525 0.90 MAPT (0.45) TACR1
SCHEMBL214303 0.90 ITGB3 (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL214302 0.90 ITGB3 (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL27608994 0.90 MAPT (0.45) TACR1
SCHEMBL1133305 0.90 ITGB3 (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL7276364 0.88 KLK5 (0.44) CTSSCTSKCTSLCTSBITGB3
SCHEMBL1486139 0.88 KLK5 (0.44) CTSSCTSKCTSLCTSBITGB3
SCHEMBL7547141 0.88 CTSS (0.39) CTSSCTSKCTSLCTSBITGB3
SCHEMBL9767869 0.88 REN (0.44) CTSSCTSKCTSLCTSBITGB3
SCHEMBL27507948 0.88 REN (0.44) CTSSCTSKCTSLCTSBITGB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883255-A Substituted indolizino 1,2-b!quinolinones SMITHKLINE BEECHAM CORPORATION (US) 1999-03-16 US disclosed