SCHEMBL13812775

SCHEMBL13812775

COc1ccccc1CCOc1cccc(NC(=O)c2ccc(C)cc2O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 7/20 0.51
▸ KCNK9 Q9NPC2 7/20 0.51
▸ IDO1 P14902 1/20 0.50
▸ TDO2 P48775 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 2/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ KLK1 P06870 1/20 0.47
▸ KLK6 Q92876 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 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
SCHEMBL13812776 0.92 KCNK3 (0.51) KCNK3KCNK9LMNAPOLBKMT2A
SCHEMBL13812746 0.91 POLB (0.55) KCNK3KCNK9POLBKMT2ANPC1
SCHEMBL13812739 0.90 SMN1; SMN2 (0.52) KCNK3KCNK9LMNAPOLBKMT2A
SCHEMBL13812765 0.90 KCNK3 (0.55) KCNK3KCNK9LMNAPOLBKMT2A
SCHEMBL13812934 0.87 KCNK3 (0.47) KCNK3KCNK9IDO1LMNAPOLB
SCHEMBL13812742 0.86 KCNK3 (0.56) KCNK3KCNK9POLBKMT2AMAPK1
SCHEMBL13812774 0.86 SIRT2 (0.57) KCNK3KCNK9LMNAPOLBKMT2A
SCHEMBL13812782 0.85 NR1H4 (0.54) LMNAKMT2APLGKLK1KLK6
SCHEMBL13812750 0.85 FADS1 (0.58) KCNK3KCNK9POLBKMT2AKDM4E
SCHEMBL13812747 0.84 SMN1; SMN2 (0.52) KCNK3KCNK9LMNAPOLBMAPK1

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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