SCHEMBL4451168

SCHEMBL4451168

CCCc1ccccc1P(=O)(Oc1cccc(CC)c1CC)Oc1cccc(CC)c1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HIF1A Q16665 1/20 0.33
PPARD Q03181 1/20 0.32
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 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
ELANE P08246 1/20 0.30
CTSL P07711 1/20 0.30

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
SCHEMBL4451592 0.92 PTGS2 (0.38) LTB4RLTB4R2HIF1AALOX5PTGS2
SCHEMBL4458097 0.91 L3MBTL1 (0.37) L3MBTL1MAPTNPSR1HIF1AMEN1
SCHEMBL4458068 0.90 LTB4R (0.41) LTB4RLTB4R2L3MBTL1MAPTNPSR1
SCHEMBL4449869 0.89 LTB4R (0.38) LTB4RLTB4R2L3MBTL1MAPTNPSR1
SCHEMBL4452085 0.89 LTB4R (0.40) LTB4RLTB4R2L3MBTL1MAPTNPSR1
SCHEMBL4451171 0.86 ALDH1A1 (0.37) LTB4RLTB4R2L3MBTL1MAPTNPSR1
SCHEMBL4451255 0.85 LTB4R (0.43) LTB4RLTB4R2HIF1APPARDALOX5
SCHEMBL4449164 0.85 LTB4R (0.43) LTB4RLTB4R2HIF1APPARDALOX5
SCHEMBL4454061 0.84 MAPT (0.37) L3MBTL1MAPTNPSR1HIF1AMEN1
SCHEMBL4451705 0.83 LTB4R (0.38) LTB4RLTB4R2L3MBTL1MAPTNPSR1

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