SCHEMBL13812934

SCHEMBL13812934

COc1ccccc1CCOc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)ccc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 6/20 0.47
▸ KCNK9 Q9NPC2 6/20 0.47
▸ POLB P06746 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ FADS1 O60427 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ KCNMA1 Q12791 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL13812803 0.94 TRPV1 (0.50) KCNK3KCNK9POLBKMT2AFADS1
SCHEMBL13812936 0.94 FADS1 (0.49) KCNK3KCNK9POLBKMT2AALDH1A1
SCHEMBL13812776 0.92 KCNK3 (0.51) KCNK3KCNK9POLBKMT2AALDH1A1
SCHEMBL13812948 0.92 FADS1 (0.50) KCNK3KCNK9POLBKMT2AFADS1
SCHEMBL13812809 0.92 POLB (0.51) KCNK3KCNK9POLBKMT2AFADS1
SCHEMBL13812942 0.91 POLB (0.50) KCNK3KCNK9POLBKMT2AMAPK1
SCHEMBL13812938 0.90 GAA (0.47) KCNK3KCNK9POLBKMT2AALDH1A1
SCHEMBL13812935 0.89 FADS1 (0.47) KCNK3KCNK9POLBKMT2AALDH1A1
SCHEMBL13812946 0.89 FADS1 (0.54) KCNK3KCNK9POLBKMT2AFADS1
SCHEMBL13812944 0.88 KCNK3 (0.45) KCNK3KCNK9POLBMAPK1FADS1

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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