SCHEMBL13812792

SCHEMBL13812792

COc1ccccc1CCOc1cccc(NC(=O)c2cccc(-c3ccccc3)c2O)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ KCNK3 O14649 4/20 0.50
▸ KCNK9 Q9NPC2 4/20 0.50
▸ HTT P42858 1/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ POLB P06746 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NR1H4 Q96RI1 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
SCHEMBL13812742 0.90 KCNK3 (0.56) KDM4EKCNK3KCNK9NPC1RAB9A
SCHEMBL13812774 0.87 SIRT2 (0.57) KDM4EKCNK3KCNK9NPC1RAB9A
SCHEMBL13812765 0.87 KCNK3 (0.55) KDM4EKCNK3KCNK9NPC1RAB9A
SCHEMBL13812950 0.86 RAB9A (0.58) KDM4EKCNK3KCNK9NPC1RAB9A
SCHEMBL13812789 0.86 NR1H4 (0.61) GAAKDM4EHTTALDH1A1MAPK1
SCHEMBL13812803 0.85 TRPV1 (0.50) GAAKDM4EKCNK3KCNK9NPC1
SCHEMBL13812938 0.85 GAA (0.47) GAAKDM4EKCNK3KCNK9HTT
SCHEMBL13812770 0.84 KCNK3 (0.61) KDM4EKCNK3KCNK9NPC1RAB9A
SCHEMBL13812943 0.83 KDM4E (0.47) GAAKDM4EKCNK3KCNK9HTT
SCHEMBL13812809 0.83 POLB (0.51) GAAKDM4EKCNK3KCNK9NPC1

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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