SCHEMBL13812742

SCHEMBL13812742

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 5/20 0.56
▸ KCNK9 Q9NPC2 5/20 0.56
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ TP53 P04637 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ POLB P06746 2/20 0.53
▸ KLKB1 P03952 1/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ KLK1 P06870 1/20 0.50
▸ KLK5 Q9Y337 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL13812774 0.93 SIRT2 (0.57) KCNK3KCNK9NPC1RAB9ATP53
SCHEMBL13812765 0.92 KCNK3 (0.55) KCNK3KCNK9NPC1RAB9ATP53
SCHEMBL13812950 0.92 RAB9A (0.58) KCNK3KCNK9NPC1RAB9ATP53
SCHEMBL13812770 0.90 KCNK3 (0.61) KCNK3KCNK9NPC1RAB9ATP53
SCHEMBL13812792 0.90 GAA (0.60) KCNK3KCNK9NPC1RAB9ATP53
SCHEMBL13812736 0.89 KCNK3 (0.56) KCNK3KCNK9NPC1RAB9ATP53
SCHEMBL13812746 0.87 POLB (0.55) KCNK3KCNK9NPC1RAB9ATP53
SCHEMBL13812750 0.87 FADS1 (0.58) KCNK3KCNK9NPC1RAB9ATP53
SCHEMBL13812775 0.86 KCNK3 (0.51) KCNK3KCNK9NPC1RAB9ATP53
SCHEMBL13812739 0.86 SMN1; SMN2 (0.52) KCNK3KCNK9NPC1RAB9ATP53

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