SCHEMBL20709124

SCHEMBL20709124

C=C(OC)c1ccc(C(=O)c2c(OCCOCCOCCC)ccc(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.36
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ SMPD1 P17405 3/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL18044454 0.88 MAPT (0.43) PDE4DKDM4EALDH1A1LMNAMAPT
SCHEMBL18151908 0.86 RARB (0.46) ALDH1A1RARBLMNA
SCHEMBL20709061 0.81 RXRA (0.35) PDE4DKDM4EGAATHRATHRB
SCHEMBL18044471 0.80 MAPT (0.44) PDE4DKDM4EALDH1A1LMNAMAPT
SCHEMBL18499051 0.80 MAPT (0.44) PDE4DKDM4EALDH1A1LMNAMAPT
SCHEMBL18151911 0.80 MAPT (0.44) PDE4DKDM4EALDH1A1LMNAMAPT
SCHEMBL18044474 0.79 MAPT (0.43) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL18044486 0.79 MAPT (0.43) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL18499050 0.79 RARB (0.40) KDM4EALDH1A1RARBLMNAMAPT
SCHEMBL18044460 0.79 RARB (0.40) KDM4EALDH1A1RARBLMNAMAPT

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
EP-3067351-B1 COMPOUND HAVING HIGHER INHIBITION OF PROTEIN KINASE G ACTIVITY AND PREPARATION METHOD THEREFOR JENKEM TECH CO LTD TIANJIN (CN) 2019-02-06 — — EP disclosed
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