SCHEMBL9319959

SCHEMBL9319959

CC(C)c1c(C=O)c(-c2ccc(F)cc2)c(C=O)c(=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK14 Q16539 1/20 0.36
GCGR P47871 3/20 0.35
PTGS2 P35354 5/20 0.34
PTGS1 P23219 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
AR P10275 1/20 0.33
HMGCR P04035 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
DPP4 P27487 1/20 0.33
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL9764313 0.84 PTGS2 (0.43) ALDH1A1L3MBTL1KDM4ETDP1MAPK14
SCHEMBL9319453 0.84 ALDH1A1 (0.36) ALDH1A1L3MBTL1KDM4ETDP1MAPK14
SCHEMBL9320007 0.82 GCGR (0.43) ALDH1A1L3MBTL1KDM4ETDP1MAPK14
SCHEMBL9764095 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ETDP1PTGS2
SCHEMBL9320917 0.77 AR (0.50) AR
SCHEMBL9695099 0.73 PTGS2 (0.39) ALDH1A1PTGS2PTGS1AR
SCHEMBL9024278 0.72 PTGS2 (0.38) ALDH1A1MAPK14PTGS2PTGS1HMGCR
SCHEMBL8805119 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4ETDP1GCGR
SCHEMBL9321090 0.71 GCGR (0.40) ALDH1A1L3MBTL1KDM4ETDP1MAPK14
SCHEMBL9664017 0.71 GCGR (0.40) ALDH1A1L3MBTL1KDM4ETDP1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373423-B1 Substituted 2-pyridones and pyride-2-thiones, process for their preparation and their use in medicine BAYER AG (DE) 1994-01-12 EP disclosed
US-5164506-A Substituted 2-pyridones and pyrid-2-thiones compounds BAYER AKTIENGESELLSCHAFT (DE) 1992-11-17 US disclosed
US-5032602-A Inhibiting HMG-CoA reductase with novel substituted 2-pyridones and pyrid-2-thiones BAYER AKTIENGESELLSCHAFT (DE) 1991-07-16 US disclosed