SCHEMBL4710609

SCHEMBL4710609

C=C(C)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FHIT P49789 2/20 0.71
KDM4E B2RXH2 10/20 0.69
ALDH1A1 P00352 10/20 0.69
HSD17B10 Q99714 8/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 4/20 0.65
MEN1 O00255 4/20 0.65
GLA P06280 3/20 0.65
GAA P10253 3/20 0.65
LMNA P02545 2/20 0.65
CASP1 P29466 2/20 0.65
CASP7 P55210 1/20 0.65
HPGD P15428 7/20 0.59
TSHR P16473 4/20 0.59
POLB P06746 2/20 0.59
RXFP1 Q9HBX9 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL20246700 0.88 FHIT (0.70) FHITKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL4709622 0.85 KDM4E (0.67) FHITKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL4710697 0.85 FHIT (0.76) FHITKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL4711017 0.84 KDM4E (0.95) FHITKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL4708976 0.82 KDM4E (0.70) FHITKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL4712030 0.82 KDM4E (0.77) FHITKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL4711880 0.82 KDM4E (0.95) FHITKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL4709413 0.81 KDM4E (0.68) FHITKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL4710927 0.81 FHIT (0.70) FHITKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL4708929 0.80 FHIT (0.69) FHITKDM4EALDH1A1HSD17B10KMT2A

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