SCHEMBL4709404

SCHEMBL4709404

CN(C)Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 1.00
GLA P06280 17/20 1.00
GAA P10253 17/20 1.00
ALDH1A1 P00352 16/20 1.00
HPGD P15428 15/20 1.00
MAPT P10636 3/20 0.79
ATM Q13315 2/20 0.79
CYP1A2 P05177 2/20 0.79
CYP2D6 P10635 2/20 0.79
CYP2C9 P11712 2/20 0.79
CASP1 P29466 7/20 0.67
CASP7 P55210 7/20 0.67
HSD17B10 Q99714 7/20 0.67
SMN1; SMN2 Q16637 3/20 0.63
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
LMNA P02545 2/20 0.62
ERAP1 Q9NZ08 4/20 0.62
HTT P42858 1/20 0.62

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
SCHEMBL4709931 0.77 KDM4E (1.00) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL14125384 0.73 KDM4E (0.59) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4708982 0.72 ALDH1A1 (0.57) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL30465071 0.69 ALDH1A1 (0.65) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4710620 0.69 ALDH1A1 (0.65) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4708695 0.66 ALDH1A1 (0.63) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4712639 0.66 ALDH1A1 (0.49) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4708970 0.66 ALDH1A1 (0.53) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4709945 0.64 KDM4E (0.69) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4712929 0.64 ALDH1A1 (0.56) KDM4EGLAGAAALDH1A1HPGD

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