SCHEMBL13812947

SCHEMBL13812947

COc1ccccc1CCOc1cccc(NC(=O)c2cc(-c3ccccc3Cl)ccc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ FADS1 O60427 2/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ P2RX1 P51575 3/20 0.45
▸ MAPT P10636 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KCNK3 O14649 2/20 0.43
▸ KCNK9 Q9NPC2 2/20 0.43
▸ CHRNA7 P36544 1/20 0.42
▸ P2RX4 Q99571 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
SCHEMBL13812938 0.93 GAA (0.47) FADS1P2RX1MAPTGAAKDM4E
SCHEMBL13812935 0.90 FADS1 (0.47) SIRT2FADS1P2RX1MAPTGAA
SCHEMBL13812943 0.90 KDM4E (0.47) FADS1MCL1MAPTGAAKDM4E
SCHEMBL13812948 0.89 FADS1 (0.50) SIRT2FADS1P2RX1MAPTGAA
SCHEMBL13812932 0.89 MCL1 (0.48) FADS1MCL1P2RX1MAPTGAA
SCHEMBL13812946 0.89 FADS1 (0.54) SIRT2FADS1P2RX1MAPTGAA
SCHEMBL13812803 0.88 TRPV1 (0.50) FADS1MAPTGAAKDM4ENPC1
SCHEMBL13812936 0.87 FADS1 (0.49) FADS1MAPTGAAKDM4ENPC1
SCHEMBL13812809 0.87 POLB (0.51) FADS1MAPTGAAKDM4ENPC1
SCHEMBL13812934 0.86 KCNK3 (0.47) FADS1KDM4ENPC1TP53RAB9A

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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