SCHEMBL4712725

SCHEMBL4712725

CN(C)C(=O)Sc1cc2oc(=O)c3c(c2cc1Cl)CCCC3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 16/20 0.54
▸ KDM4E B2RXH2 14/20 0.54
▸ HSD17B10 Q99714 10/20 0.54
▸ GLA P06280 7/20 0.54
▸ GAA P10253 7/20 0.54
▸ MAPT P10636 6/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ CASP1 P29466 4/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ CASP7 P55210 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ FHIT P49789 1/20 0.48
▸ HPGD P15428 11/20 0.48
▸ TSHR P16473 6/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A2 O94788 2/20 0.45
▸ ALDH2 P05091 2/20 0.45
▸ ALDH1B1 P30837 2/20 0.45

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
SCHEMBL4710605 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL8243919 0.82 KDM4E (0.39) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL8244539 0.82 KDM4E (0.39) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL4711181 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL4708968 0.80 KDM4E (0.37) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL4711131 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL4710676 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL4709176 0.75 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL4710620 0.74 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL30465071 0.74 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10GLAGAA

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 5 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
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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