SCHEMBL4711017

SCHEMBL4711017

CCOc1cc2oc(=O)c3c(c2cc1Cl)CCCC3

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.95
ALDH1A1 P00352 10/20 0.95
FHIT P49789 1/20 0.67
HSD17B10 Q99714 7/20 0.65
HPGD P15428 7/20 0.65
MAPT P10636 5/20 0.65
TSHR P16473 5/20 0.65
KMT2A Q03164 4/20 0.65
GLA P06280 4/20 0.65
GAA P10253 4/20 0.65
MEN1 O00255 3/20 0.65
CASP1 P29466 3/20 0.65
CASP7 P55210 2/20 0.65
POLB P06746 2/20 0.65
LMNA P02545 1/20 0.65
RXFP1 Q9HBX9 2/20 0.60
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL4712030 0.90 KDM4E (0.77) KDM4EALDH1A1FHITHSD17B10HPGD
SCHEMBL4712732 0.85 ALDH1A1 (0.70) KDM4EALDH1A1FHITHSD17B10HPGD
SCHEMBL4708976 0.85 KDM4E (0.70) KDM4EALDH1A1FHITHSD17B10HPGD
SCHEMBL4709945 0.84 KDM4E (0.69) KDM4EALDH1A1FHITHSD17B10HPGD
SCHEMBL4710609 0.84 FHIT (0.71) KDM4EALDH1A1FHITHSD17B10HPGD
SCHEMBL4709413 0.84 KDM4E (0.68) KDM4EALDH1A1FHITHSD17B10HPGD
SCHEMBL4709622 0.83 KDM4E (0.67) KDM4EALDH1A1FHITHSD17B10HPGD
SCHEMBL4710838 0.83 KDM4E (0.67) KDM4EALDH1A1FHITHSD17B10HPGD
SCHEMBL4710697 0.83 FHIT (0.76) KDM4EALDH1A1FHITHSD17B10HPGD
SCHEMBL4713044 0.82 ALDH1A1 (0.95) KDM4EALDH1A1FHITHSD17B10HPGD

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
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
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed