SCHEMBL13812938

SCHEMBL13812938

COc1ccccc1CCOc1cccc(NC(=O)c2cc(-c3ccccc3OC)ccc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ KCNK3 O14649 3/20 0.46
▸ KCNK9 Q9NPC2 3/20 0.46
▸ FADS1 O60427 2/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ P2RX1 P51575 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL13812943 0.95 KDM4E (0.47) GAAKDM4EPOLBKCNK3KCNK9
SCHEMBL13812947 0.93 SIRT2 (0.47) GAAKDM4EPOLBKCNK3KCNK9
SCHEMBL13812932 0.92 MCL1 (0.48) GAAKDM4EPOLBKCNK3KCNK9
SCHEMBL13812803 0.91 TRPV1 (0.50) GAAKDM4EPOLBKCNK3KCNK9
SCHEMBL13812809 0.91 POLB (0.51) GAAKDM4EPOLBKCNK3KCNK9
SCHEMBL13812936 0.91 FADS1 (0.49) GAAKDM4EPOLBKCNK3KCNK9
SCHEMBL13812934 0.90 KCNK3 (0.47) KDM4EPOLBKCNK3KCNK9FADS1
SCHEMBL13812942 0.90 POLB (0.50) GAAKDM4EPOLBKCNK3KCNK9
SCHEMBL13812793 0.89 SMN1; SMN2 (0.45) GAAKDM4EPOLBKCNK3KCNK9
SCHEMBL13812948 0.89 FADS1 (0.50) GAAKDM4EPOLBKCNK3KCNK9

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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