SCHEMBL13812801

SCHEMBL13812801

COc1ccccc1CCOc1cccc(NC(=O)c2cc(Cl)ccc2CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ SGMS2 Q8NHU3 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KCNK3 O14649 2/20 0.46
▸ KCNK9 Q9NPC2 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ F10 P00742 1/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PNLIP P16233 1/20 0.44

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
SCHEMBL13812763 0.91 GRM5 (0.53) GRM5MAPTSGMS2POLBKCNK3
SCHEMBL13812800 0.87 KDM4E (0.50) GRM5MAPTSGMS2POLBKCNK3
SCHEMBL13812798 0.85 G6PD (0.48) GRM5MAPTSGMS2POLBRAB9A
SCHEMBL13812560 0.85 P2RX1 (0.56) GRM5MAPTSGMS2POLBKCNK3
SCHEMBL13812931 0.84 ALDH1A1 (0.49) GRM5MAPTSGMS2POLBKDM4E
SCHEMBL13812737 0.84 RAB9A (0.66) GRM5MAPTKCNK3KCNK9NPC1
SCHEMBL13812742 0.83 KCNK3 (0.56) MAPTPOLBKCNK3KCNK9KDM4E
SCHEMBL13812948 0.82 FADS1 (0.50) GRM5MAPTSGMS2POLBKCNK3
SCHEMBL13812765 0.82 KCNK3 (0.55) MAPTPOLBKCNK3KCNK9KDM4E
SCHEMBL13812792 0.82 GAA (0.60) MAPTPOLBKCNK3KCNK9KDM4E

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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