SCHEMBL4460825

SCHEMBL4460825

CCCc1cccc(POCC)c1CCC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL4458137 0.88 LTB4R (0.33) LTB4RLTB4R2
SCHEMBL4452258 0.87 PTGS2 (0.36) LTB4RLTB4R2
SCHEMBL4458101 0.85 LTB4R (0.34) LTB4RLTB4R2ALDH1A1
SCHEMBL4452341 0.84 ALOX5 (0.33) ELANELTB4RLTB4R2KDM4EALDH1A1
SCHEMBL4451816 0.81 HTR2A (0.30)
SCHEMBL4461981 0.79 HPGD (0.38) ELANELTB4RLTB4R2KDM4EALDH1A1
SCHEMBL4458013 0.79 GABRA1 (0.38)
SCHEMBL4452177 0.76 PTGS2 (0.36) LTB4RLTB4R2
SCHEMBL4455062 0.76 ALOX5 (0.36) LTB4RLTB4R2
SCHEMBL4454847 0.75

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