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SCHEMBL2607310

SCHEMBL2607310

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)CC(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 4/20 0.41
▸ DPP4 P27487 4/20 0.41
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ MCL1 Q07820 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MDH1 P40925 5/20 0.32
▸ MDH2 P40926 5/20 0.32
▸ HIF1A Q16665 2/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL11947511 0.95 ANPEP (0.38) ANPEPDPP4NR1H2NR1H3MCL1
SCHEMBL12055789 0.94 ANPEP (0.38) ANPEPDPP4NR1H2NR1H3MCL1
SCHEMBL12055790 0.93 ANPEP (0.38) ANPEPDPP4NR1H2NR1H3MCL1
SCHEMBL38651290 0.93 ANPEP (0.38) ANPEPDPP4NR1H2NR1H3MCL1
SCHEMBL14003734 0.92 MCL1 (0.40) ANPEPDPP4NR1H2NR1H3MCL1
SCHEMBL14003735 0.92 MCL1 (0.40) ANPEPDPP4NR1H2NR1H3MCL1
SCHEMBL18071911 0.92 ANPEP (0.36) ANPEPDPP4NR1H2NR1H3MCL1
SCHEMBL2702644 0.92 ANPEP (0.36) ANPEPDPP4NR1H2NR1H3MCL1
SCHEMBL20784011 0.92 ANPEP (0.40) ANPEPDPP4NR1H2NR1H3MCL1
SCHEMBL3580743 0.90 ANPEP (0.35) ANPEPDPP4NR1H2NR1H3MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448033-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Sumitomo Chemical Company, Limited (JP) 2012-05-02 — — EP disclosed
US-20120091449-A1 ORGANIC ELECTROLUMINESCENT ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 — — US disclosed
US-20120091449-A1 ORGANIC ELECTROLUMINESCENT ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 — — US disclosed
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