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SCHEMBL2788005

SCHEMBL2788005

CC(C)(C)OC(=O)On1c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.32
▸ TSPO P30536 1/20 0.32
▸ NR1H2 P55055 3/20 0.32
▸ RXRA P19793 2/20 0.32
▸ NR1H3 Q13133 2/20 0.32
▸ PTGES2 Q9H7Z7 4/20 0.31
▸ PTGES O14684 2/20 0.31
▸ TBXAS1 P24557 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ GABRA6 Q16445 1/20 0.30

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
SCHEMBL2789384 0.89 PDK2 (0.32) PDK2NR1H2RXRANR1H3PTGES2
SCHEMBL783318 0.86 NR1H2 (0.36) PDK2TSPONR1H2RXRANR1H3
SCHEMBL2787393 0.84 ABCG2 (0.34) PDK2NR1H2RXRANR1H3GABRA1
SCHEMBL2814756 0.84 PDK2 (0.35) PDK2NR1H2RXRANR1H3PTGES2
SCHEMBL782265 0.81 TSPO (0.36) PDK2TSPOPTGES2PTGESTBXAS1
SCHEMBL2788024 0.80 CDK1 (0.40) PDK2TSPO
SCHEMBL782648 0.78 PDK2 (0.32) PDK2TSPO
SCHEMBL803029 0.78 PDK2 (0.32) PDK2TSPO
SCHEMBL14960715 0.77 PDK2 (0.33) PDK2TSPO
SCHEMBL14960705 0.76 PGR (0.30) PDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 — — WO disclosed
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