SCHEMBL13812736

SCHEMBL13812736

COc1cccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)c1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 4/20 0.56
▸ KCNK9 Q9NPC2 4/20 0.56
▸ KLKB1 P03952 1/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.55
▸ NR1H4 Q96RI1 1/20 0.55
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ TP53 P04637 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ LRRK2 Q5S007 1/20 0.53
▸ POLB P06746 2/20 0.53
▸ MET P08581 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52

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 0.89 KCNK3 (0.56) KCNK3KCNK9KLKB1SIRT2RAB9A
SCHEMBL13812777 0.88 SIRT2 (0.59) KCNK3KCNK9SIRT2NR1H4POLB
SCHEMBL13812761 0.86 SIRT2 (0.60) SIRT2NR1H4RAB9ANPC1TP53
SCHEMBL13812764 0.85 LRRK2 (0.55) KCNK3KCNK9SIRT2NR1H4LRRK2
SCHEMBL13812751 0.85 FADS1 (0.60) SIRT2NR1H4RAB9ANPC1LRRK2
SCHEMBL13812546 0.85 SIRT2 (0.59) SIRT2NR1H4RAB9ANPC1SMN1; SMN2
SCHEMBL13812749 0.85 MET (0.60) KLKB1SIRT2NR1H4RAB9ANPC1
SCHEMBL13812767 0.85 KCNK3 (0.54) KCNK3KCNK9SIRT2NR1H4RAB9A
SCHEMBL13812789 0.84 NR1H4 (0.61) SIRT2NR1H4KDM4EMAPK1GAA
SCHEMBL13812549 0.82 SIRT2 (0.58) SIRT2NR1H4GAA

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
Send feedback