SCHEMBL4712031

SCHEMBL4712031

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.43
LTB4R2 Q9NPC1 3/20 0.43
PTGS2 P35354 2/20 0.40
ALOX5 P09917 1/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 2/20 0.37
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34

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
SCHEMBL11138913 1.00 LTB4R (0.43) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL9294713 0.92 LTB4R (0.48) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL6271735 0.89 LTB4R (0.39) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL6273157 0.89 LTB4R (0.39) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL14686026 0.83 PTGS2 (0.51) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL5364072 0.82 LTB4R (0.37) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL78431 0.82 LTB4R (0.37) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL10348809 0.82 PTGS2 (0.53) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL28191406 0.81 THRA (0.52) LTB4RLTB4R2PTGS2ALOX5PPARA
SCHEMBL8769634 0.81 LTB4R (0.40) LTB4RLTB4R2PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470735-B2 Phenol-free phosphites DOVER CHEMICAL CORPORATION (US) 2008-12-30 US disclosed
WO-2005113665-A2 PHENOL-FREE PHOSPHITES DOVER CHEMICAL CORPORATION (US) 2005-12-01 WO disclosed
US-20040180999-A1 PHENOL-FREE PHOSPHITES DOVER CHEMICAL CORPORATION (US) 2004-09-16 US disclosed