SCHEMBL4709931

SCHEMBL4709931

O=c1oc2c(CN3CCOCC3)c(O)c(Cl)cc2c2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 18/20 1.00
ALDH1A1 P00352 17/20 1.00
GLA P06280 17/20 1.00
GAA P10253 17/20 1.00
HPGD P15428 17/20 1.00
CASP1 P29466 7/20 1.00
CASP7 P55210 7/20 1.00
HSD17B10 Q99714 7/20 1.00
MAPT P10636 5/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
LMNA P02545 2/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
POLB P06746 4/20 0.96
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
ATM Q13315 1/20 0.60
HIF1A Q16665 5/20 0.59

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
SCHEMBL4709648 0.81 KDM4E (0.68) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4709404 0.77 KDM4E (1.00) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9742463 0.75 KDM4E (0.63) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9741563 0.74 KDM4E (0.61) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14125384 0.72 KDM4E (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4713197 0.71 KDM4E (1.00) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9743316 0.70 KDM4E (0.61) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4708982 0.69 ALDH1A1 (0.57) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4708939 0.69 KDM4E (0.53) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9741834 0.69 KDM4E (0.60) 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-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP claimed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO claimed
EP-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed