SCHEMBL17209163

SCHEMBL17209163

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-n3c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc43)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ ALK Q9UM73 1/20 0.36
▸ NTSR1 P30989 2/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ PPARG P37231 5/20 0.33
▸ PPARA Q07869 5/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ SLC6A9 P48067 1/20 0.32

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
SCHEMBL17209170 1.00 CA12 (0.39) CA12CA1CA2CA9ALK
SCHEMBL17209191 1.00 CA12 (0.39) CA12CA1CA2CA9ALK
SCHEMBL17209187 1.00 CA12 (0.39) CA12CA1CA2CA9ALK
SCHEMBL17209214 0.98 NTSR1 (0.37) CA12CA1CA2CA9ALK
SCHEMBL17209236 0.98 NTSR1 (0.37) CA12CA1CA2CA9ALK
SCHEMBL17209220 0.98 NTSR1 (0.37) CA12CA1CA2CA9ALK
SCHEMBL17209164 0.98 NTSR1 (0.37) CA12CA1CA2CA9ALK
SCHEMBL17209177 0.98 NTSR1 (0.37) CA12CA1CA2CA9ALK
SCHEMBL17209175 0.97 CA12 (0.38) CA12CA1CA2CA9ALK
SCHEMBL17209208 0.94 CA12 (0.38) CA12CA1CA2CA9ALK

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
WO-2016043394-A1 LIGHT EMITTING DIODE AND ELECTRONIC DEVICE COMPRISING SAME 주식회사 엘엠에스 2016-03-24 — — WO disclosed
WO-2015163584-A1 NOVEL COMPOUND AND LIGHT EMITTING ELEMENT COMPRISING SAME 주식회사 엘엠에스 2015-10-29 — — WO disclosed
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