SCHEMBL4460811

SCHEMBL4460811

CCCCc1cccc(P(=O)(OC)OC)c1CCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
ALOX5 P09917 1/20 0.39
PPARA Q07869 3/20 0.38
BID P55957 3/20 0.34
MCL1 Q07820 3/20 0.34
BCL2L1 Q07817 2/20 0.34
BAK1 Q16611 2/20 0.34
KAT8 Q9H7Z6 2/20 0.34
PPARG P37231 2/20 0.34
EP300 Q09472 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34
KAT5 Q92993 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 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
SCHEMBL4462486 0.87 ELANE (0.34) PTGS2ALOX5PPARAELANE
SCHEMBL4460866 0.86 MEN1 (0.44) PTGS2ALOX5PPARABIDMCL1
SCHEMBL4451779 0.85 LIPG (0.39) PTGS2ALOX5PPARAHIF1ATSHR
SCHEMBL4460813 0.85 ALOX5 (0.40) PTGS2ALOX5PPARABIDMCL1
SCHEMBL4448581 0.85 CYP3A4 (0.38) HIF1A
SCHEMBL4451487 0.85 MEN1 (0.38) PTGS2ALOX5PPARAHIF1A
SCHEMBL4454056 0.82 L3MBTL1 (0.40) HIF1A
SCHEMBL4454779 0.82 LTB4R (0.39) PTGS2ALOX5PPARAPPARGELANE
SCHEMBL4458037 0.81 PTGS2 (0.32) PTGS2ALOX5PPARABIDMCL1
SCHEMBL4462323 0.81 PTGS2 (0.38) PTGS2ALOX5PPARAPPARGELANE

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