SCHEMBL13812776

SCHEMBL13812776

COc1ccccc1CCOc1cccc(NC(=O)c2cc(C)ccc2O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 8/20 0.51
▸ KCNK9 Q9NPC2 8/20 0.51
▸ POLB P06746 2/20 0.49
▸ KCNMA1 Q12791 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ FADS1 O60427 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL13812934 0.92 KCNK3 (0.47) KCNK3KCNK9POLBKCNMA1KMT2A
SCHEMBL13812775 0.92 KCNK3 (0.51) KCNK3KCNK9POLBKCNMA1KMT2A
SCHEMBL13812750 0.91 FADS1 (0.58) KCNK3KCNK9POLBKMT2AFADS1
SCHEMBL13812747 0.90 SMN1; SMN2 (0.52) KCNK3KCNK9POLBMAPK1FADS1
SCHEMBL13812765 0.90 KCNK3 (0.55) KCNK3KCNK9POLBKMT2AMAPK1
SCHEMBL13812760 0.89 LRRK2 (0.56) KCNK3KCNK9POLBKMT2AMAPK1
SCHEMBL13812803 0.88 TRPV1 (0.50) KCNK3KCNK9POLBKMT2AFADS1
SCHEMBL13812938 0.87 GAA (0.47) KCNK3KCNK9POLBKMT2AMAPK1
SCHEMBL13812809 0.87 POLB (0.51) KCNK3KCNK9POLBKMT2AFADS1
SCHEMBL13812936 0.87 FADS1 (0.49) KCNK3KCNK9POLBKMT2AFADS1

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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