SCHEMBL4455050

SCHEMBL4455050

CCCc1ccccc1OP(=O)(Oc1ccccc1CCC)c1cccc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PPARD Q03181 1/20 0.34
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
NISCH Q9Y2I1 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 0.33

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
SCHEMBL4454792 0.92 MAPT (0.40) MAPTLMNAGAAMAPK1HTT
SCHEMBL4452099 0.90 MAPT (0.45) MAPTLMNAGAAMAPK1HTT
SCHEMBL4455052 0.86 MAPT (0.40) MAPTLMNAGAAMAPK1HTT
SCHEMBL4460502 0.86 LTB4R (0.41) LTB4RLTB4R2SLC6A2SLC6A4SLC6A3
SCHEMBL4449869 0.84 LTB4R (0.38) MAPTLTB4RLTB4R2SLC6A2SLC6A4
SCHEMBL4452131 0.84 LTB4R (0.43) LTB4RLTB4R2SLC6A2SLC6A4SLC6A3
SCHEMBL4454706 0.82 LTB4R (0.39) MAPTLTB4RLTB4R2SLC6A2SLC6A4
SCHEMBL4454504 0.82 MAPT (0.51) MAPTLMNAGAAMAPK1HTT
SCHEMBL4451705 0.82 LTB4R (0.38) MAPTHTTLTB4RLTB4R2PPARD
SCHEMBL4449253 0.81 LTB4R (0.43) LTB4RLTB4R2PPARDHIF1A

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