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SCHEMBL4957516

SCHEMBL4957516

CCCc1cc(C(c2ccc(O)c(CCC)c2)c2cc(C34CC5CC(C3)CC(c3cc(C)c(O)c(C(c6ccc(O)c(CCC)c6)c6ccc(O)c(CCC)c6)c3)(C5)C4)cc(C)c2O)ccc1O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PGR P06401 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ SPHK2 Q9NRA0 1/20 0.31
▸ SPHK1 Q9NYA1 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
SCHEMBL4956283 0.94 PGR (0.32) MEN1POLBGAAGFERKMT2A
SCHEMBL4954598 0.92 PGR (0.34) MEN1POLBGAAGFERKMT2A
SCHEMBL4953885 0.86 MEN1 (0.37) MEN1POLBGAAGFERKMT2A
SCHEMBL4956304 0.84 RORC (0.34) MEN1POLBGAAGFERKMT2A
SCHEMBL4957122 0.83 POLB (0.35) MEN1POLBGAAGFERKMT2A
SCHEMBL4955141 0.81 ESR1 (0.40) MEN1POLBGAAGFERKMT2A
SCHEMBL4954778 0.81 MEN1 (0.33) MEN1POLBGAAGFERKMT2A
SCHEMBL4956281 0.81 MEN1 (0.33) MEN1POLBGAAGFERKMT2A
SCHEMBL4952482 0.79 MEN1 (0.38) MEN1POLBGAAGFERKMT2A
SCHEMBL4954268 0.79 NUDT1 (0.33) MEN1POLBGAAGFERKMT2A

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-7456323-B2 1,3-bis(3-formyl-4-hydroxyphenyl)adamantanes and polynuclear polyphenols derived therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2008-11-25 — — US disclosed