SCHEMBL4452085

SCHEMBL4452085

CCCc1cccc(OP(=O)(Oc2cccc(CCC)c2CCC)c2ccccc2CC)c1CCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.40
LTB4R2 Q9NPC1 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HIF1A Q16665 1/20 0.33
ELANE P08246 1/20 0.33
PPARD Q03181 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4458068 0.96 LTB4R (0.41) LTB4RLTB4R2L3MBTL1MAPTNPSR1
SCHEMBL4451255 0.91 LTB4R (0.43) LTB4RLTB4R2HIF1APPARD
SCHEMBL4452104 0.89 LTB4R (0.39) LTB4RLTB4R2HIF1AELANE
SCHEMBL4454706 0.89 LTB4R (0.39) LTB4RLTB4R2MAPTHIF1APPARD
SCHEMBL4451168 0.89 LTB4R (0.35) LTB4RLTB4R2L3MBTL1MAPTNPSR1
SCHEMBL4451705 0.89 LTB4R (0.38) LTB4RLTB4R2L3MBTL1MAPTNPSR1
SCHEMBL4449164 0.88 LTB4R (0.43) LTB4RLTB4R2HIF1AELANEPPARD
SCHEMBL4460502 0.87 LTB4R (0.41) LTB4RLTB4R2HIF1APPARDHTR1A
SCHEMBL4452087 0.86 LTB4R (0.41) LTB4RLTB4R2HIF1AELANEPPARD
SCHEMBL4458097 0.85 L3MBTL1 (0.37) L3MBTL1MAPTNPSR1HIF1AMEN1

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