SCHEMBL4451361

SCHEMBL4451361

Cc1cccc(OP(C)(=O)Oc2cccc(C)c2C)c1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR1B P28222 1/20 0.42
POLB P06746 4/20 0.41
ALDH1A1 P00352 2/20 0.40
KEAP1 Q14145 1/20 0.38
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
INPPL1 O15357 1/20 0.36

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
SCHEMBL108985 0.85 MAPT (0.71) MAPTLMNAGAAMAPK1HTT
SCHEMBL4119537 0.84 MAPT (0.65) MAPTLMNAGAAMAPK1HTT
SCHEMBL776642 0.83 KDM4E (0.49) MAPTLMNAGAAMAPK1HTT
SCHEMBL30638309 0.82 MAPT (0.67) MAPTLMNAGAAMAPK1HTT
SCHEMBL9058483 0.82 MAPT (0.67) MAPTLMNAGAAMAPK1HTT
SCHEMBL497309 0.82 MAPT (0.67) MAPTLMNAGAAMAPK1HTT
SCHEMBL5667319 0.82 MAPT (0.67) MAPTLMNAGAAMAPK1HTT
SCHEMBL759513 0.82 MAPT (0.67) MAPTLMNAGAAMAPK1HTT
SCHEMBL29429257 0.82 MAPT (0.67) MAPTLMNAGAAMAPK1HTT
SCHEMBL19348755 0.82 MAPT (0.67) MAPTLMNAGAAMAPK1HTT

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