SCHEMBL8244539

SCHEMBL8244539

CCC1CCc2c(c(=O)oc3cc(SC(=O)N(C)C)c(Cl)cc23)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.39
▸ ALDH1A1 P00352 10/20 0.39
▸ HSD17B10 Q99714 6/20 0.39
▸ GLA P06280 6/20 0.39
▸ GAA P10253 6/20 0.39
▸ MAPT P10636 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ CASP1 P29466 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ FHIT P49789 1/20 0.36
▸ HPGD P15428 8/20 0.35
▸ TSHR P16473 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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 0.84 KDM4E (0.39) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4710605 0.83 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4712725 0.82 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4708968 0.82 KDM4E (0.37) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL13342421 0.66 MAP2K1 (0.66) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4711181 0.64 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL2289558 0.63 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4711131 0.62 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL11325519 0.62 APEX1 (0.37) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL4710676 0.61 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10GLAGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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