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SCHEMBL13836735

SCHEMBL13836735

CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(C)c3cccc(-c4cccc(-c5cccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6ccccc6-7)c5)c4)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.40
▸ MMP2 P08253 4/20 0.33
▸ MMP9 P14780 4/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.31
▸ MMP8 P22894 2/20 0.31
▸ MMP13 P45452 2/20 0.31
▸ CHKA P35790 1/20 0.30
▸ PTGES O14684 2/20 0.30
▸ ALOX5 P09917 2/20 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
SCHEMBL13836973 0.97 PDK2 (0.43) PDK2MMP2MMP9MGLLLTB4R2
SCHEMBL13837033 0.97 PDK2 (0.41) PDK2MMP2MMP9MGLLLTB4R2
SCHEMBL13836853 0.97 PDK2 (0.43) PDK2MMP2MMP9MGLLLTB4R2
SCHEMBL25866822 0.96 MMP2 (0.36) PDK2MMP2MMP9MGLLLTB4R2
SCHEMBL25866849 0.95 PDK2 (0.34) PDK2MMP2MMP9MGLLLTB4R2
SCHEMBL10445774 0.94 PDK2 (0.46) PDK2MMP2MMP9MGLLMMP8
SCHEMBL13836874 0.93 PDK2 (0.37) PDK2
SCHEMBL14649854 0.92 PDK2 (0.38) PDK2MMP2MMP9
SCHEMBL13028002 0.92 MMP2 (0.38) PDK2MMP2MMP9MGLLLTB4R2
SCHEMBL20315359 0.92 MMP2 (0.38) PDK2MMP2MMP9MGLLMMP8

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-20120286653-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL ILLUMINATOR MITSUBISHI CHEMICAL CORPORATION (JP) 2012-11-15 — — US disclosed