SCHEMBL4460813

SCHEMBL4460813

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
PPARA Q07869 3/20 0.39
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 2/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
TSHR P16473 2/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL4462488 0.88 LTB4R (0.34) ALOX5PTGS2PPARAPLA2G2DELANE
SCHEMBL4460867 0.87 ALDH1A1 (0.45) ALOX5PTGS2PPARABIDMCL1
SCHEMBL4448583 0.86 PLA2G2D (0.46) PLA2G2DHIF1A
SCHEMBL4451489 0.86 PLA2G2D (0.44) ALOX5PTGS2PPARABIDMCL1
SCHEMBL4460811 0.85 PTGS2 (0.39) ALOX5PTGS2PPARABIDMCL1
SCHEMBL4454781 0.83 THRA (0.40) ALOX5PTGS2PPARAPPARGHIF1A
SCHEMBL4454058 0.83 SRC (0.39) PPARATSHRHIF1ALTB4RLTB4R2
SCHEMBL4458041 0.82 ALOX5 (0.33) ALOX5PTGS2PPARABIDMCL1
SCHEMBL4462328 0.82 ALOX5 (0.39) ALOX5PTGS2PPARAPPARGELANE
SCHEMBL4453965 0.81 ALOX5 (0.38) ALOX5PTGS2PPARAPPARGELANE

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