SCHEMBL8601039

SCHEMBL8601039

CCOC(=O)c1cc(C2CC2)c2c(C)c(C3(C(=O)OC(c4ccccc4)c4ccccc4)CC3)c(F)cn2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SCN9A Q15858 4/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.32
USP19 O94966 1/20 0.32
SCN7A Q01118 2/20 0.32
SCN5A Q14524 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
LMNA P02545 1/20 0.32
KCNA3 P22001 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
SCHEMBL8573258 0.86 KDM4E (0.35) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8577985 0.84 KDM4E (0.37) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8627547 0.83 KDM4E (0.37) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8576035 0.79 STAT3 (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7788430 0.76 KDM4E (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1290285 0.75 KDM4E (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1290073 0.75 SMN1; SMN2 (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8570051 0.75 KDM4E (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12501961 0.74 KDM4E (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8569365 0.74 HPGD (0.32) KDM4EALDH1A1GLAGAAHPGD

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-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
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