SCHEMBL4458097

SCHEMBL4458097

CCc1ccccc1P(=O)(Oc1cccc(CC)c1CC)Oc1cccc(CC)c1CC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
PTK2B Q14289 1/20 0.33
XBP1 P17861 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
SCHEMBL4451168 0.91 LTB4R (0.35) L3MBTL1MAPTNPSR1HTTMEN1
SCHEMBL4454061 0.89 MAPT (0.37) L3MBTL1MAPTNPSR1HTTMEN1
SCHEMBL4451592 0.89 PTGS2 (0.38) HIF1A
SCHEMBL4460847 0.87 L3MBTL1 (0.40) L3MBTL1MAPTNPSR1HTTMEN1
SCHEMBL4452085 0.85 LTB4R (0.40) L3MBTL1MAPTNPSR1HTTMEN1
SCHEMBL4458102 0.84 ALDH1A1 (0.40) L3MBTL1MAPTNPSR1HTTMEN1
SCHEMBL4455460 0.84 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1HTTMEN1
SCHEMBL4452104 0.83 LTB4R (0.39) HIF1A
SCHEMBL4449869 0.82 LTB4R (0.38) L3MBTL1MAPTNPSR1HIF1A
SCHEMBL4446208 0.81 GABRA1 (0.39) L3MBTL1MAPTNPSR1HTTGABRA1

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