SCHEMBL13812943

SCHEMBL13812943

COc1ccccc1CCOc1cccc(NC(=O)c2cc(-c3ccccc3Oc3ccccc3)ccc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ POLB P06746 1/20 0.43
▸ KCNK3 O14649 3/20 0.43
▸ KCNK9 Q9NPC2 3/20 0.43
▸ FADS1 O60427 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 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
▸ MCL1 Q07820 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PNLIP P16233 1/20 0.41

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
SCHEMBL13812938 0.95 GAA (0.47) KDM4EGAAPOLBKCNK3KCNK9
SCHEMBL13812803 0.90 TRPV1 (0.50) KDM4EGAAPOLBKCNK3KCNK9
SCHEMBL13812947 0.90 SIRT2 (0.47) KDM4EGAAPOLBKCNK3KCNK9
SCHEMBL13812932 0.89 MCL1 (0.48) KDM4EGAAPOLBKCNK3KCNK9
SCHEMBL13812936 0.87 FADS1 (0.49) KDM4EGAAPOLBKCNK3KCNK9
SCHEMBL13812809 0.87 POLB (0.51) KDM4EGAAPOLBKCNK3KCNK9
SCHEMBL13812934 0.86 KCNK3 (0.47) KDM4EPOLBKCNK3KCNK9FADS1
SCHEMBL13812942 0.86 POLB (0.50) KDM4EGAAPOLBKCNK3KCNK9
SCHEMBL13812793 0.86 SMN1; SMN2 (0.45) KDM4EGAAPOLBKCNK3KCNK9
SCHEMBL13812948 0.86 FADS1 (0.50) KDM4EGAAPOLBKCNK3KCNK9

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