SCHEMBL4452087

SCHEMBL4452087

CCCc1cccc(OP(=O)(O)c2ccccc2CC)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.41
LTB4R2 Q9NPC1 4/20 0.41
ALDH1A1 P00352 2/20 0.37
ELANE P08246 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
PPARD Q03181 1/20 0.33
RAB9A P51151 1/20 0.33
DAO P14920 1/20 0.33
ALPG P10696 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
SCHEMBL4458071 0.96 LTB4R (0.42) LTB4RLTB4R2ALDH1A1ELANEHIF1A
SCHEMBL4451256 0.91 LTB4R (0.44) LTB4RLTB4R2ALDH1A1ELANEHIF1A
SCHEMBL4454710 0.90 LTB4R (0.40) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4452106 0.90 LTB4R (0.40) LTB4RLTB4R2ALDH1A1ELANEHIF1A
SCHEMBL4451171 0.89 ALDH1A1 (0.37) LTB4RLTB4R2ALDH1A1ELANEHIF1A
SCHEMBL4451708 0.89 LTB4R (0.39) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4449167 0.88 LTB4R (0.44) LTB4RLTB4R2ALDH1A1ELANEHIF1A
SCHEMBL4460503 0.88 LTB4R (0.42) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4452085 0.86 LTB4R (0.40) LTB4RLTB4R2ALDH1A1ELANEHIF1A
SCHEMBL4458102 0.86 ALDH1A1 (0.40) ALDH1A1HIF1ANPC1POLBPTK2B

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