SCHEMBL4454706

SCHEMBL4454706

CCCc1cccc(OP(=O)(Oc2cccc(CCC)c2CCC)c2ccccc2C)c1CCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.32
CXCR5 P32302 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL4454807 0.91 LTB4R (0.38) LTB4RLTB4R2MAPTCYP1A2CYP3A4
SCHEMBL4458068 0.90 LTB4R (0.41) LTB4RLTB4R2MAPTHIF1APPARD
SCHEMBL4452085 0.89 LTB4R (0.40) LTB4RLTB4R2MAPTHIF1APPARD
SCHEMBL4454710 0.87 LTB4R (0.40) LTB4RLTB4R2MAPTHIF1ACXCR5
SCHEMBL4449164 0.85 LTB4R (0.43) LTB4RLTB4R2HIF1APPARD
SCHEMBL4451255 0.85 LTB4R (0.43) LTB4RLTB4R2HIF1APPARD
SCHEMBL4454061 0.85 MAPT (0.37) MAPTCYP1A2CYP3A4CYP2C19HIF1A
SCHEMBL4460502 0.85 LTB4R (0.41) LTB4RLTB4R2HIF1ASLC6A2SLC6A4
SCHEMBL4451705 0.83 LTB4R (0.38) LTB4RLTB4R2MAPTTSHRHIF1A
SCHEMBL4455050 0.82 MAPT (0.42) LTB4RLTB4R2MAPTCYP1A2CYP3A4

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