SCHEMBL4454710

SCHEMBL4454710

CCCc1cccc(OP(=O)(O)c2ccccc2C)c1CCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.33
CXCR5 P32302 1/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
PPARA Q07869 1/20 0.33
PTK2B Q14289 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PPARD Q03181 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4454808 0.91 PPARA (0.40) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4458071 0.91 LTB4R (0.42) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4451201 0.90 LTB4R (0.37) LTB4RLTB4R2ALDH1A1MAPTHIF1A
SCHEMBL4452087 0.90 LTB4R (0.41) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4454706 0.87 LTB4R (0.39) LTB4RLTB4R2MAPTHIF1ACXCR5
SCHEMBL4451256 0.86 LTB4R (0.44) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4449167 0.86 LTB4R (0.44) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4460503 0.85 LTB4R (0.42) LTB4RLTB4R2ALDH1A1HIF1ANPC1
SCHEMBL4454064 0.85 ALDH1A1 (0.38) ALDH1A1MAPTHIF1ANPC1POLB
SCHEMBL4451708 0.84 LTB4R (0.39) LTB4RLTB4R2ALDH1A1MAPTHIF1A

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