SCHEMBL15002932

SCHEMBL15002932

CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N(c5ccccc5)c5ccc(-c6cccc7ccccc67)cc5)cc34)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ PPARG P37231 8/20 0.32
▸ PPARA Q07869 8/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CHRNA1 P02708 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
SCHEMBL15002918 0.96 PPARG (0.32) ENPP1MCL1ACMSDENPP3PPARG
SCHEMBL15002740 0.95 PPARG (0.31) ENPP1MCL1ACMSDENPP3PPARG
SCHEMBL15002860 0.95 PPARG (0.31) ENPP1MCL1ACMSDENPP3PPARG
SCHEMBL15002819 0.94 MCL1 (0.30) ENPP1MCL1ACMSDENPP3
SCHEMBL15002764 0.93 CHRNA1 (0.31) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL13333986 0.93 MCL1 (0.32) ENPP1MCL1ACMSDENPP3PPARG
SCHEMBL15237236 0.93 PDK2 (0.33) ENPP1MCL1ACMSDENPP3PDK2
SCHEMBL15002779 0.92 PDK2 (0.31) PDK2
SCHEMBL15002836 0.92 PDK2 (0.31) PDK2
SCHEMBL15002752 0.92 PDK2 (0.31) 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-2013081410-A1 ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME 주식회사 두산 (KR) 2013-06-06 — — WO disclosed
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