SCHEMBL13812932

SCHEMBL13812932

COc1ccccc1CCOc1cccc(NC(=O)c2cc(-c3cccc4ccccc34)ccc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ ACMSD Q8TDX5 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ KCNK3 O14649 2/20 0.42
▸ KCNK9 Q9NPC2 2/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ FADS1 O60427 2/20 0.41
▸ TNIK Q9UKE5 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 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 0.92 GAA (0.47) POLBGAAKDM4EKCNK3KCNK9
SCHEMBL13812942 0.89 POLB (0.50) POLBGAAKDM4EKCNK3KCNK9
SCHEMBL13812943 0.89 KDM4E (0.47) MCL1POLBGAAKDM4EKCNK3
SCHEMBL13812947 0.89 SIRT2 (0.47) MCL1POLBGAAKDM4EKCNK3
SCHEMBL13812803 0.87 TRPV1 (0.50) POLBGAAKDM4EKCNK3KCNK9
SCHEMBL13812936 0.87 FADS1 (0.49) POLBGAAKDM4EKCNK3KCNK9
SCHEMBL13812809 0.87 POLB (0.51) POLBGAAKDM4EKCNK3KCNK9
SCHEMBL13812934 0.86 KCNK3 (0.47) POLBKDM4EKCNK3KCNK9MEN1
SCHEMBL13812793 0.85 SMN1; SMN2 (0.45) POLBACMSDGAAKDM4EKCNK3
SCHEMBL13812948 0.85 FADS1 (0.50) POLBGAAKDM4EKCNK3KCNK9

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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