SCHEMBL8577985

SCHEMBL8577985

CCOC(=O)c1cc(C2CC2)c2c(C)c(CC(=O)OC(c3ccccc3)c3ccccc3)c(F)cn2c1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
SCN9A Q15858 4/20 0.34
MAPT P10636 2/20 0.33
SCN7A Q01118 2/20 0.33
SCN5A Q14524 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL8627547 0.85 KDM4E (0.37) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL8601039 0.84 KDM4E (0.36) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL7788430 0.77 KDM4E (0.40) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL1290285 0.77 KDM4E (0.39) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL12501961 0.76 KDM4E (0.38) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL1289979 0.75 GAA (0.39) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL12502207 0.75 CDK5 (0.42) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL1290073 0.75 SMN1; SMN2 (0.42) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL8570051 0.74 KDM4E (0.40) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL8573258 0.74 KDM4E (0.35) KDM4EALDH1A1GAAGLAHPGD

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
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed