SCHEMBL4454808

SCHEMBL4454808

CCCCc1cccc(OP(=O)(O)c2ccccc2C)c1CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PTK2B Q14289 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ELANE P08246 1/20 0.33
CTSG P08311 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
SCHEMBL4453557 0.92 LTB4R (0.40) PPARALTB4RLTB4R2ALOX5PTGS2
SCHEMBL4452106 0.91 LTB4R (0.40) PPARALTB4RLTB4R2ALOX5PTGS2
SCHEMBL4454710 0.91 LTB4R (0.40) PPARALTB4RLTB4R2HIF1AALDH1A1
SCHEMBL4453965 0.90 ALOX5 (0.38) PPARALTB4RLTB4R2ALOX5PTGS2
SCHEMBL4449167 0.90 LTB4R (0.44) PPARALTB4RLTB4R2ALOX5PTGS2
SCHEMBL11125294 0.88 PPARA (0.45) PPARALTB4RLTB4R2ALOX5PTGS2
SCHEMBL4451256 0.88 LTB4R (0.44) PPARALTB4RLTB4R2ALOX5PTGS2
SCHEMBL4454807 0.87 LTB4R (0.38) PPARALTB4RLTB4R2ALOX5PTGS2
SCHEMBL4454781 0.87 THRA (0.40) PPARALTB4RLTB4R2ALOX5PTGS2
SCHEMBL4462328 0.86 ALOX5 (0.39) PPARALTB4RLTB4R2ALOX5PTGS2

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