SCHEMBL13812944

SCHEMBL13812944

COc1ccccc1CCOc1cccc(NC(=O)c2cc(-c3cccc(C(C)C)c3)ccc2O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 3/20 0.45
▸ KCNK9 Q9NPC2 3/20 0.45
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ FADS1 O60427 3/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRAF P15056 1/20 0.39

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 0.91 TRPV1 (0.50) KCNK3KCNK9POLBKDM4EGAA
SCHEMBL13812809 0.90 POLB (0.51) KCNK3KCNK9POLBKDM4EGAA
SCHEMBL13812942 0.89 POLB (0.50) KCNK3KCNK9POLBKDM4EGAA
SCHEMBL13812936 0.88 FADS1 (0.49) KCNK3KCNK9POLBKDM4EGAA
SCHEMBL13812946 0.88 FADS1 (0.54) KCNK3KCNK9POLBKDM4EGAA
SCHEMBL13812934 0.88 KCNK3 (0.47) KCNK3KCNK9POLBKDM4EFADS1
SCHEMBL13812948 0.87 FADS1 (0.50) KCNK3KCNK9POLBKDM4EGAA
SCHEMBL13812938 0.87 GAA (0.47) KCNK3KCNK9POLBKDM4EGAA
SCHEMBL13812935 0.86 FADS1 (0.47) KCNK3KCNK9POLBKDM4EGAA
SCHEMBL13812949 0.85 RXFP1 (0.54) KCNK3KCNK9TP53MCHR1MAPT

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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