SCHEMBL4452341

SCHEMBL4452341

CCCc1cccc(POC)c1CCC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
DAO P14920 1/20 0.30
ELANE P08246 1/20 0.30
HMGCR P04035 1/20 0.30

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
SCHEMBL4452174 0.86 PTGS2 (0.41) ALOX5PTGS2ELANE
SCHEMBL4460825 0.84 ELANE (0.32) LTB4RLTB4R2KDM4EALDH1A1GAA
SCHEMBL4458137 0.83 LTB4R (0.33) LTB4RLTB4R2
SCHEMBL4458101 0.80 LTB4R (0.34) ALOX5PTGS2LTB4RLTB4R2ALDH1A1
SCHEMBL4461981 0.80 HPGD (0.38) LTB4RLTB4R2KDM4EALDH1A1GAA
SCHEMBL4451816 0.79 HTR2A (0.30)
SCHEMBL4455680 0.78 GABRA1 (0.39) HPGDDAO
SCHEMBL4454847 0.77
SCHEMBL1452942 0.76 ALDH1A1 (0.41) ALOX5PTGS2LTB4RLTB4R2KDM4E
SCHEMBL15732525 0.75 KDM4E (0.31) KDM4EALDH1A1GAAHPGDDAO

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