SCHEMBL4708968

SCHEMBL4708968

CN(C)C(=O)Sc1cc2oc(=O)c3c(c2cc1Cl)CCC(c1ccccc1)C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ GAA P10253 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ GLA P06280 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HPGD P15428 4/20 0.36
▸ MAP2K1 Q02750 1/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ FHIT P49789 1/20 0.32
▸ ACHE P22303 1/20 0.31

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
SCHEMBL8243919 0.82 KDM4E (0.39) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL8244539 0.82 KDM4E (0.39) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL4710605 0.81 ALDH1A1 (0.41) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL4712725 0.80 ALDH1A1 (0.54) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL13342421 0.70 MAP2K1 (0.66) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL4709097 0.66 KDM4E (0.57) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL6590146 0.65 MAPT (0.43) KDM4EALDH1A1GAAHSD17B10KMT2A
SCHEMBL8246403 0.64 RXFP1 (0.47) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL4709168 0.63 KDM4E (0.59) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL4711131 0.62 ALDH1A1 (0.56) KDM4EALDH1A1GAAHSD17B10GLA

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
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