SCHEMBL4451489

SCHEMBL4451489

CCCCc1cccc(P(=O)(O)OCCC)c1CCCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.44
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
HIF1A Q16665 1/20 0.35
PPARA Q07869 1/20 0.35
GGPS1 O95749 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
BID P55957 3/20 0.34
MCL1 Q07820 3/20 0.34
CETP P11597 3/20 0.34
BCL2L1 Q07817 2/20 0.34
BAK1 Q16611 2/20 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
SCHEMBL4448583 0.94 PLA2G2D (0.46) PLA2G2DALDH1A1HIF1A
SCHEMBL4460867 0.90 ALDH1A1 (0.45) PLA2G2DALDH1A1MEN1KMT2AALOX5
SCHEMBL4454045 0.89 PLA2G2D (0.40) PLA2G2DALDH1A1MEN1KMT2AHIF1A
SCHEMBL4458166 0.86 PLA2G2D (0.46) PLA2G2DALDH1A1HIF1ALTB4RLTB4R2
SCHEMBL4451487 0.86 MEN1 (0.38) PLA2G2DMEN1KMT2AALOX5PTGS2
SCHEMBL4460813 0.86 ALOX5 (0.40) PLA2G2DALOX5PTGS2HIF1APPARA
SCHEMBL4451699 0.82 PLA2G2D (0.41) PLA2G2DALDH1A1MEN1KMT2AHIF1A
SCHEMBL4454781 0.81 THRA (0.40) ALDH1A1ALOX5PTGS2HIF1APPARA
SCHEMBL4454058 0.81 SRC (0.39) HIF1APPARAGGPS1LTB4RLTB4R2
SCHEMBL4458041 0.80 ALOX5 (0.33) PLA2G2DALDH1A1MEN1KMT2AALOX5

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