SCHEMBL6271735

SCHEMBL6271735

CCCCCCCCCc1cccc(OP(OCCCCCCCC(C)C)OCCCCCCCC(C)C)c1CCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PTGS2 P35354 5/20 0.39
ALOX5 P09917 1/20 0.39
PPARA Q07869 2/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PPARG P37231 1/20 0.36
LIPG Q9Y5X9 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
CNR1 P21554 4/20 0.33
CNR2 P34972 4/20 0.33
SLC2A1 P11166 1/20 0.32
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 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
SCHEMBL6273157 0.98 LTB4R (0.39) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL29173154 0.92 PTGS2 (0.44) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL4709952 0.90 THRA (0.45) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL3828938 0.90 THRA (0.45) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL11210213 0.89 PTGS2 (0.44) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL4712031 0.89 LTB4R (0.43) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL11138913 0.89 LTB4R (0.43) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL6272974 0.88 THRA (0.45) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL9008326 0.88 THRA (0.45) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL9326507 0.82 LTB4R (0.45) LTB4RLTB4R2PTGS2ALOX5PPARA

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-2005113665-A2 PHENOL-FREE PHOSPHITES DOVER CHEMICAL CORPORATION (US) 2005-12-01 WO disclosed