SCHEMBL13812935

SCHEMBL13812935

COc1ccccc1CCOc1cccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ccc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 2/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ KCNK3 O14649 2/20 0.43
▸ KCNK9 Q9NPC2 2/20 0.43
▸ P2RX1 P51575 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TNIK Q9UKE5 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL13812948 0.92 FADS1 (0.50) FADS1SIRT2POLBKCNK3KCNK9
SCHEMBL13812946 0.91 FADS1 (0.54) FADS1SIRT2POLBKCNK3KCNK9
SCHEMBL13812803 0.91 TRPV1 (0.50) FADS1POLBKCNK3KCNK9NPC1
SCHEMBL13812947 0.90 SIRT2 (0.47) FADS1SIRT2PPARGPOLBKCNK3
SCHEMBL13812809 0.90 POLB (0.51) FADS1POLBKCNK3KCNK9NPC1
SCHEMBL13812936 0.90 FADS1 (0.49) FADS1POLBKCNK3KCNK9NPC1
SCHEMBL13812934 0.89 KCNK3 (0.47) FADS1POLBKCNK3KCNK9NPC1
SCHEMBL13812942 0.89 POLB (0.50) FADS1SIRT2POLBKCNK3KCNK9
SCHEMBL13812938 0.88 GAA (0.47) FADS1POLBKCNK3KCNK9P2RX1
SCHEMBL13812944 0.86 KCNK3 (0.45) FADS1POLBKCNK3KCNK9NPC1

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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