SCHEMBL4451171

SCHEMBL4451171

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
HIF1A Q16665 1/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
PTK2B Q14289 2/20 0.34
ELANE P08246 1/20 0.34
PPARD Q03181 1/20 0.33
RAB9A P51151 1/20 0.33
DAO P14920 1/20 0.33
ALPG P10696 1/20 0.33
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL4451594 0.92 ALOX5 (0.39) ALDH1A1LTB4RLTB4R2HIF1ANPC1
SCHEMBL4458102 0.92 ALDH1A1 (0.40) ALDH1A1HIF1ANPC1POLBPTK2B
SCHEMBL4458071 0.90 LTB4R (0.42) ALDH1A1LTB4RLTB4R2HIF1ANPC1
SCHEMBL4452087 0.89 LTB4R (0.41) ALDH1A1LTB4RLTB4R2HIF1ANPC1
SCHEMBL4449871 0.89 LTB4R (0.39) ALDH1A1LTB4RLTB4R2HIF1ANPC1
SCHEMBL4451168 0.86 LTB4R (0.35) ALDH1A1LTB4RLTB4R2HIF1AELANE
SCHEMBL4451256 0.86 LTB4R (0.44) ALDH1A1LTB4RLTB4R2HIF1ANPC1
SCHEMBL4449167 0.86 LTB4R (0.44) ALDH1A1LTB4RLTB4R2HIF1ANPC1
SCHEMBL4454064 0.85 ALDH1A1 (0.38) ALDH1A1HIF1ANPC1POLBPTK2B
SCHEMBL4451708 0.84 LTB4R (0.39) ALDH1A1LTB4RLTB4R2HIF1ANPC1

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