SCHEMBL4460503

SCHEMBL4460503

CCCc1ccccc1OP(=O)(O)c1cccc(CCC)c1CCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
ALDH1A1 P00352 2/20 0.38
PPARD Q03181 1/20 0.36
HIF1A Q16665 1/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
PTK2B Q14289 2/20 0.35
RAB9A P51151 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ALPG P10696 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NISCH Q9Y2I1 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
SCHEMBL4451708 0.96 LTB4R (0.39) LTB4RLTB4R2ALDH1A1PPARDHIF1A
SCHEMBL4449254 0.95 LTB4R (0.44) LTB4RLTB4R2ALDH1A1PPARDHIF1A
SCHEMBL4452137 0.92 LTB4R (0.44) LTB4RLTB4R2ALDH1A1PPARDHIF1A
SCHEMBL4451201 0.91 LTB4R (0.37) LTB4RLTB4R2ALDH1A1PPARDHIF1A
SCHEMBL4449871 0.90 LTB4R (0.39) LTB4RLTB4R2ALDH1A1PPARDHIF1A
SCHEMBL4454781 0.89 THRA (0.40) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4458071 0.89 LTB4R (0.42) LTB4RLTB4R2ALDH1A1PPARDHIF1A
SCHEMBL4452087 0.88 LTB4R (0.41) LTB4RLTB4R2ALDH1A1PPARDHIF1A
SCHEMBL4455892 0.86 SRC (0.41) LTB4RLTB4R2ALDH1A1
SCHEMBL4460502 0.86 LTB4R (0.41) LTB4RLTB4R2PPARDHIF1ATHRA

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