SCHEMBL11917684

SCHEMBL11917684

CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(N(c7ccccc7)c7ccc(C)cc7)cc6)ccc4-5)c4nsnc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.34
▸ ICMT O60725 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ LIPE Q05469 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
SCHEMBL25444720 0.99 PDK2 (0.33) PDK2ICMTESR1
SCHEMBL25444719 0.99 PDK2 (0.33) PDK2ICMTESR1
SCHEMBL13581279 0.95 PDK2 (0.31) PDK2
SCHEMBL14369620 0.94 MMP2 (0.32) PDK2ESR1
SCHEMBL25444652 0.94 MMP2 (0.32) PDK2ESR1
SCHEMBL25444646 0.92 ESR1 (0.32) ESR1
SCHEMBL25444653 0.91 ESR1 (0.30) ICMTESR1
SCHEMBL25444649 0.91 ESR1 (0.32) ESR1
SCHEMBL11917670 0.90 PDK2 (0.31) PDK2
SCHEMBL10000207 0.90 PDK2 (0.38) PDK2ICMTLTB4R2LIPE

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
US-8242235-B2 Purification process of electroluminescent material, electroluminescent material and electroluminescent device HITACHI CHEMICAL CO., LTD. (JP) 2012-08-14 — — US disclosed
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