SCHEMBL14408042

SCHEMBL14408042

CC1c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ EGFR P00533 2/20 0.36
▸ C5AR1 P21730 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35

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
SCHEMBL14408041 1.00 APP (0.39) APPHIF1APIN1PDE4APDE4B
SCHEMBL3668993 0.89 PIN1 (0.39) APPHIF1APIN1PDE4APDE4B
SCHEMBL3669336 0.89 PIN1 (0.39) APPHIF1APIN1PDE4APDE4B
SCHEMBL14380399 0.84 MEN1 (0.42) APPHIF1APDE4APDE4BPDE4C
SCHEMBL7247984 0.83 C5AR1 (0.36) APPHIF1APIN1PDE4APDE4B
SCHEMBL5320675 0.83 C5AR1 (0.36) APPHIF1APIN1PDE4APDE4B
SCHEMBL5268318 0.83 PIN1 (0.38) APPHIF1APIN1PDE4APDE4B
SCHEMBL5265501 0.83 PIN1 (0.38) APPHIF1APIN1PDE4APDE4B
SCHEMBL18427307 0.83 PIN1 (0.38) APPHIF1APIN1PDE4APDE4B
SCHEMBL14408048 0.83 PIN1 (0.37) APPHIF1APIN1PDE4APDE4B

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
US-7268240-B2 Synthetic methods for polyphenols MARS, INC. 2007-09-11 — — US disclosed
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