SCHEMBL7048087

SCHEMBL7048087

O=C(O)Oc1cnc2ccc(Cl)c(Cl)c2c1O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
PPARG P37231 1/20 0.33
CASP7 P55210 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.32
DPP4 P27487 1/20 0.32
MET P08581 1/20 0.30

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
SCHEMBL7048084 0.77 ALDH1A1 (0.41) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL9654332 0.77 HTT (0.37) KDM4EALDH1A1NPSR1DPP4
SCHEMBL7047960 0.77 AKR1C4 (0.37) KDM4EALDH1A1HSD17B10MRGPRX4
SCHEMBL1590567 0.72 DPP4 (0.41) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL9655347 0.71 KDM4E (0.34) KDM4EALDH1A1HSD17B10
SCHEMBL8296199 0.69 ERN1 (0.42) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL121773 0.68 FABP3 (0.51) KDM4EALDH1A1HSD17B10MRGPRX4DPP4
SCHEMBL31105888 0.68 FABP3 (0.51) KDM4EALDH1A1HSD17B10MRGPRX4DPP4
SCHEMBL11116001 0.68 MAOA (0.44) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL9655310 0.68 HTT (0.45) KDM4EALDH1A1NPSR1

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
EP-0960099-B1 IMPROVED PROCESS FOR THE PREPARATION OF HALO-4-PHENOXYQUINOLINES DOW AGROSCIENCES LLC (US) 2003-04-16 EP claimed