SCHEMBL4458071

SCHEMBL4458071

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.42
LTB4R2 Q9NPC1 4/20 0.42
ALDH1A1 P00352 2/20 0.38
HIF1A Q16665 1/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
PTK2B Q14289 2/20 0.35
ELANE P08246 1/20 0.34
RAB9A P51151 1/20 0.34
PPARD Q03181 1/20 0.34
ALPG P10696 1/20 0.33
DAO P14920 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
INPPL1 O15357 1/20 0.33
INPP5B P32019 1/20 0.33
INPP5A Q14642 1/20 0.33

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
SCHEMBL4452087 0.96 LTB4R (0.41) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4451256 0.95 LTB4R (0.44) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4449167 0.92 LTB4R (0.44) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4454710 0.91 LTB4R (0.40) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4451171 0.90 ALDH1A1 (0.37) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4453557 0.89 LTB4R (0.40) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4460503 0.89 LTB4R (0.42) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4451708 0.88 LTB4R (0.39) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL11125294 0.87 PPARA (0.45) LTB4RLTB4R2HIF1AELANEALOX5
SCHEMBL4456019 0.86 LTB4R (0.44) LTB4RLTB4R2ALDH1A1HIF1APOLB

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