SCHEMBL4452099

SCHEMBL4452099

CCc1ccccc1OP(=O)(Oc1ccccc1CC)c1cccc(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 5/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
HTR1B P28222 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 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
SCHEMBL4455050 0.90 MAPT (0.42) MAPTMAPK1HTTLMNAGAA
SCHEMBL4454792 0.88 MAPT (0.40) MAPTMAPK1HTTLMNAGAA
SCHEMBL4454504 0.85 MAPT (0.51) MAPTMAPK1HTTLMNAGAA
SCHEMBL4452100 0.85 MAPT (0.43) MAPTMAPK1HTTLMNAGAA
SCHEMBL4460847 0.84 L3MBTL1 (0.40) MAPTHTTL3MBTL1NPSR1KDM4E
SCHEMBL4454061 0.81 MAPT (0.37) MAPTMAPK1HTTLMNAGAA
SCHEMBL4462323 0.80 PTGS2 (0.38) MAPTL3MBTL1NPSR1HPGDATM
SCHEMBL4451705 0.79 LTB4R (0.38) MAPTHTTL3MBTL1NPSR1HPGD
SCHEMBL4451476 0.79 MAPT (0.61) MAPTMAPK1HTTLMNAGAA
SCHEMBL3888421 0.77 ALDH1A1 (0.41) MAPTHTTL3MBTL1NPSR1KDM4E

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