SCHEMBL4451708

SCHEMBL4451708

CCCc1cccc(P(=O)(O)Oc2ccccc2CC)c1CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HIF1A Q16665 1/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
PTK2B Q14289 2/20 0.34
PPARD Q03181 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALPG P10696 1/20 0.33
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
INPPL1 O15357 1/20 0.32
INPP5B P32019 1/20 0.32
INPP5A Q14642 1/20 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
SCHEMBL4460503 0.96 LTB4R (0.42) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4449254 0.91 LTB4R (0.44) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4451201 0.90 LTB4R (0.37) LTB4RLTB4R2ALDH1A1MAPTHIF1A
SCHEMBL4462328 0.90 ALOX5 (0.39) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4452087 0.89 LTB4R (0.41) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4449871 0.89 LTB4R (0.39) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4452137 0.88 LTB4R (0.44) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4458071 0.88 LTB4R (0.42) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4451705 0.86 LTB4R (0.38) LTB4RLTB4R2MAPTNPSR1L3MBTL1
SCHEMBL4460850 0.86 ALDH1A1 (0.40) ALDH1A1MAPTNPSR1L3MBTL1HIF1A

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