SCHEMBL13812765

SCHEMBL13812765

COc1ccccc1CCOc1cccc(NC(=O)c2ccccc2O)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 5/20 0.55
▸ KCNK9 Q9NPC2 5/20 0.55
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ THRB P10828 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ HPGD P15428 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
SCHEMBL13812742 0.92 KCNK3 (0.56) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL13812746 0.91 POLB (0.55) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL13812750 0.91 FADS1 (0.58) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL13812747 0.90 SMN1; SMN2 (0.52) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL13812739 0.90 SMN1; SMN2 (0.52) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL13812775 0.90 KCNK3 (0.51) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL13812776 0.90 KCNK3 (0.51) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL13812774 0.89 SIRT2 (0.57) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL13812760 0.89 LRRK2 (0.56) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL13812950 0.89 RAB9A (0.58) KCNK3KCNK9NPC1RAB9ASMN1; 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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