SCHEMBL13316657

SCHEMBL13316657

CCOC(=O)c1cc(OCOC)c2ccc(Cc3cccc(Cl)c3F)cn2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
PDE3B Q13370 5/20 0.37
PDE3A Q14432 5/20 0.37
METTL3 Q86U44 1/20 0.37
KLKB1 P03952 1/20 0.36
MAPT P10636 2/20 0.35
CMA1 P23946 2/20 0.35
USP2 O75604 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34

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
SCHEMBL3624978 0.90 METTL3 (0.44) MRGPRX4METTL3KLKB1CMA1
SCHEMBL3620368 0.87 PDE3B (0.43) MRGPRX4ALDH1A1KDM4EGAAHPGD
SCHEMBL13316622 0.84 PDE3B (0.41) MRGPRX4ALDH1A1KDM4EGAAHPGD
SCHEMBL13316644 0.83 PDE3B (0.41) MRGPRX4ALDH1A1KDM4EGAAHPGD
SCHEMBL3627969 0.83 PDE3B (0.41) MRGPRX4ALDH1A1KDM4EGAAHPGD
SCHEMBL13316621 0.83 PDE3B (0.40) MRGPRX4ALDH1A1KDM4EGAAHPGD
SCHEMBL13316642 0.80 PDE3B (0.38) MRGPRX4ALDH1A1KDM4EGAAHPGD
SCHEMBL3625716 0.80 PDE3B (0.41) MRGPRX4ALDH1A1KDM4EGAAHPGD
SCHEMBL13316620 0.79 METTL3 (0.39) MRGPRX4ALDH1A1KDM4EGAAHPGD
SCHEMBL13316648 0.79 PDE3B (0.38) MRGPRX4ALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed