SCHEMBL129329

SCHEMBL129329

CCCCCc1ccccc1C(C)(C)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.49
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
TLR8 Q9NR97 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL28101514 0.86 NPC1 (0.33) LIPGTDP1
SCHEMBL127062 0.86 LIPG (0.44) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL28332333 0.85 LIPG (0.52) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL13618051 0.83 MEN1 (0.33) LIPGALOX5PTGS2
SCHEMBL11745033 0.81 LIPG (0.53) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL11751785 0.81 LIPG (0.53) LIPGNR1H2NR1H3ALOX5PTGS2
Ammonia Solution, Strong SCHEMBL27868061 0.81 LIPG (0.53) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL6264161 0.81 LIPG (0.53) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL30719244 0.81 LIPG (0.53) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL1954058 0.80 BID (0.46) LIPGALOX5PTGS2BIDMCL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691441-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY COMPRISING THE SAME UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-7794885-B2 Non-aqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES, LTD. (JP) 2010-09-14 US disclosed
US-20070082271-A1 Non-aqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES, LTD. (JP) 2007-04-12 US disclosed
EP-1691441-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2006-08-16 EP disclosed