SCHEMBL13812774

SCHEMBL13812774

COc1ccccc1CCOc1cccc(NC(=O)c2cccc(C)c2O)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.57
▸ KCNK3 O14649 6/20 0.57
▸ KCNK9 Q9NPC2 6/20 0.57
▸ POLB P06746 2/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ MAPT P10636 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ KDR P35968 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TOP1 P11387 1/20 0.47
▸ PTGS2 P35354 1/20 0.47

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
SCHEMBL13812742 0.93 KCNK3 (0.56) SIRT2KCNK3KCNK9POLBKMT2A
SCHEMBL13812765 0.89 KCNK3 (0.55) SIRT2KCNK3KCNK9POLBKMT2A
SCHEMBL13812950 0.89 RAB9A (0.58) SIRT2KCNK3KCNK9POLBKMT2A
SCHEMBL13812792 0.87 GAA (0.60) KCNK3KCNK9POLBKMT2AMAPT
SCHEMBL13812770 0.87 KCNK3 (0.61) SIRT2KCNK3KCNK9POLBKMT2A
SCHEMBL13812775 0.86 KCNK3 (0.51) KCNK3KCNK9POLBKMT2ARAB9A
SCHEMBL13812776 0.86 KCNK3 (0.51) KCNK3KCNK9POLBKMT2ARAB9A
SCHEMBL13812777 0.85 SIRT2 (0.59) SIRT2KCNK3KCNK9POLBKMT2A
SCHEMBL13812750 0.84 FADS1 (0.58) KCNK3KCNK9POLBKMT2AMAPT
SCHEMBL13812746 0.84 POLB (0.55) KCNK3KCNK9POLBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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