SCHEMBL4458068

SCHEMBL4458068

CCCc1ccccc1P(=O)(Oc1cccc(CCC)c1CCC)Oc1cccc(CCC)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
HIF1A Q16665 1/20 0.34
PPARD Q03181 1/20 0.33
HTR1A P08908 2/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
NISCH Q9Y2I1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL4452085 0.96 LTB4R (0.40) LTB4RLTB4R2HIF1APPARDHTR1A
SCHEMBL4451255 0.95 LTB4R (0.43) LTB4RLTB4R2HIF1APPARDALOX5
SCHEMBL4449164 0.92 LTB4R (0.43) LTB4RLTB4R2HIF1APPARDALOX5
SCHEMBL4454706 0.90 LTB4R (0.39) LTB4RLTB4R2HIF1APPARDMAPT
SCHEMBL4451168 0.90 LTB4R (0.35) LTB4RLTB4R2HIF1APPARDHTR1A
SCHEMBL4453555 0.89 LTB4R (0.39) LTB4RLTB4R2HIF1AALOX5PTGS2
SCHEMBL4460502 0.88 LTB4R (0.41) LTB4RLTB4R2HIF1APPARDHTR1A
SCHEMBL4451705 0.87 LTB4R (0.38) LTB4RLTB4R2HIF1APPARDHTR1A
SCHEMBL11125291 0.86 PPARA (0.44) LTB4RLTB4R2ALOX5PTGS2
SCHEMBL4458071 0.86 LTB4R (0.42) LTB4RLTB4R2HIF1APPARDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed