SCHEMBL13633576

SCHEMBL13633576

Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccc(/C=C/c3ccc(OCc4ccccc4)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.39
MAOB P27338 2/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
GSK3B P49841 6/20 0.39
BACE1 P56817 5/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 1/20 0.37
KCNA3 P22001 1/20 0.36

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
SCHEMBL4189457 1.00 LCK (0.39) LCKMAOBSLC5A1SLC5A2GSK3B
SCHEMBL4195021 0.95 LCK (0.39) LCKMAOBSLC5A1SLC5A2GSK3B
SCHEMBL13633673 0.95 LCK (0.39) LCKMAOBSLC5A1SLC5A2GSK3B
Trifluoromethanesulfonic Acid SCHEMBL4187182 0.88 PPARG (0.35) LCKMAOBSLC5A1SLC5A2GSK3B
SCHEMBL4187176 0.86 MCL1 (0.39) MAOBGSK3BPPARGNPC1RAB9A
SCHEMBL4480370 0.85 MEN1 (0.42) LCKMAOBSLC5A1SLC5A2GSK3B
SCHEMBL13979983 0.85 L3MBTL1 (0.42) MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL13979971 0.84 LMNA (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL4190377 0.83 MEN1 (0.42) LCKMAOBSLC5A1SLC5A2GSK3B
SCHEMBL12907530 0.82 NPC1 (0.40) NPC1RAB9A

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-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed