SCHEMBL13930381

SCHEMBL13930381

COc1ccc(N(c2ccc(CO)cc2)c2ccc(C3=C4C(=O)N(C)C(c5ccc(N(c6ccc(CO)cc6)c6ccc(CO)cc6)cc5)=C4C(=O)N3C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.39
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ ME2 P23368 1/20 0.37
▸ ME1 P48163 1/20 0.37
▸ ME3 Q16798 1/20 0.37
▸ CMA1 P23946 1/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL10050132 1.00 PTGS2 (0.39) PTGS2NR1H2NR1H3ME2ME1
SCHEMBL15353830 0.95 OPRM1 (0.39) PTGS2RPS6KA2MEN1KMT2AIDH1
SCHEMBL12394171 0.89 PTGS2 (0.47) PTGS2NR1H2NR1H3ME2ME1
SCHEMBL13930383 0.88 NR1H2 (0.41) NR1H2NR1H3ME2ME1ME3
SCHEMBL12087877 0.88 NR1H2 (0.41) NR1H2NR1H3ME2ME1ME3
SCHEMBL15354483 0.84 ACHE (0.43) PTGS2NR1H2NR1H3ME2ME1
SCHEMBL15267242 0.83 NR1H2 (0.38) NR1H2NR1H3CMA1RPS6KA2MEN1
SCHEMBL12200966 0.82 MAOB (0.49) FYNLTB4R2
SCHEMBL12611356 0.82 MAOB (0.49) FYNLTB4R2
SCHEMBL12732320 0.80 IDO1 (0.47) —

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-8956736-B2 Organic electroluminescent device and display apparatus SONY CORPORATION (JP) 2015-02-17 — — US disclosed
US-20090039769-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS SONY CORPORATION (JP) 2009-02-12 — — US disclosed
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