SCHEMBL4451713

SCHEMBL4451713

CCc1ccccc1P(=O)(O)Oc1cccc(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 3/20 0.36
NPC1 O15118 2/20 0.36
PTK2B Q14289 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL4453644 0.91 MAPT (0.47) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL4452100 0.89 MAPT (0.43) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL4458049 0.88 MAPT (0.44) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL4131180 0.86 MAPT (0.57) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL3888421 0.84 ALDH1A1 (0.41) MAPTALDH1A1HTTL3MBTL1POLB
SCHEMBL4458102 0.82 ALDH1A1 (0.40) MAPTALDH1A1HTTL3MBTL1POLB
SCHEMBL4455052 0.82 MAPT (0.40) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL4454064 0.82 ALDH1A1 (0.38) MAPTALDH1A1LMNAHTTL3MBTL1
SCHEMBL4448730 0.82 ALDH1A1 (0.38) MAPTALDH1A1POLBNPC1PTK2B
SCHEMBL4454505 0.80 MAPT (0.49) MAPTALDH1A1MAPK1GAALMNA

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