SCHEMBL13812746

SCHEMBL13812746

COc1ccc(C(=O)Nc2cccc(OCCc3ccccc3OC)c2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.55
▸ MET P08581 2/20 0.54
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ TP53 P04637 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KLKB1 P03952 1/20 0.53
▸ SGMS2 Q8NHU3 1/20 0.50
▸ LRRK2 Q5S007 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KCNK3 O14649 2/20 0.49
▸ KCNK9 Q9NPC2 2/20 0.49
▸ THRB P10828 1/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL13812750 0.92 FADS1 (0.58) POLBMETNPC1RAB9ATP53
SCHEMBL13812739 0.91 SMN1; SMN2 (0.52) POLBMETNPC1RAB9ATP53
SCHEMBL13812775 0.91 KCNK3 (0.51) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL13812765 0.91 KCNK3 (0.55) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL13812749 0.88 MET (0.60) POLBMETNPC1RAB9AKLKB1
SCHEMBL13812742 0.87 KCNK3 (0.56) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL13812936 0.86 FADS1 (0.49) POLBMETNPC1RAB9ATP53
SCHEMBL13812809 0.86 POLB (0.51) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL13812776 0.85 KCNK3 (0.51) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL13812747 0.85 SMN1; SMN2 (0.52) POLBNPC1RAB9ATP53SMN1; SMN2

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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