SCHEMBL4449869

SCHEMBL4449869

CCCc1ccccc1OP(=O)(Oc1ccccc1CCC)c1cccc(CC)c1CC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PPARD Q03181 1/20 0.34
HTR1A P08908 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 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
SCHEMBL4462344 0.92 THRA (0.39) LTB4RLTB4R2HIF1ATHRATHRB
SCHEMBL4460847 0.91 L3MBTL1 (0.40) NISCHMAPTNPSR1L3MBTL1HIF1A
SCHEMBL4460502 0.90 LTB4R (0.41) LTB4RLTB4R2PPARDHTR1AADRA2A
SCHEMBL4451168 0.89 LTB4R (0.35) LTB4RLTB4R2PPARDHTR1AADRA2A
SCHEMBL4451705 0.89 LTB4R (0.38) LTB4RLTB4R2PPARDHTR1AADRA2A
SCHEMBL4449871 0.86 LTB4R (0.39) LTB4RLTB4R2PPARDHTR1AADRA2A
SCHEMBL4452131 0.85 LTB4R (0.43) LTB4RLTB4R2PPARDHIF1ASLC6A2
SCHEMBL4449253 0.85 LTB4R (0.43) LTB4RLTB4R2PPARDHIF1ATHRA
SCHEMBL4455050 0.84 MAPT (0.42) LTB4RLTB4R2PPARDHTR1AADRA2A
SCHEMBL4452085 0.83 LTB4R (0.40) LTB4RLTB4R2PPARDHTR1AADRA2A

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