SCHEMBL4451476

SCHEMBL4451476

Cc1ccccc1P(=O)(Oc1cccc(C)c1C)Oc1cccc(C)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
HTR1B P28222 1/20 0.38
POLB P06746 3/20 0.37
ALDH1A1 P00352 2/20 0.36
CRHBP P24387 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KEAP1 Q14145 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1726271 0.87 KDM4E (0.45) MAPTGAALMNAMAPK1HTT
SCHEMBL29468621 0.87 KDM4E (0.45) MAPTGAALMNAMAPK1HTT
SCHEMBL4454504 0.86 MAPT (0.51) MAPTGAALMNAMAPK1HTT
SCHEMBL4131180 0.83 MAPT (0.57) MAPTGAALMNAMAPK1HTT
SCHEMBL4448699 0.82 MAPT (0.61) MAPTGAALMNAMAPK1HTT
SCHEMBL4124385 0.81 LMNA (0.52) MAPTGAALMNAMAPK1HTT
SCHEMBL4452099 0.79 MAPT (0.45) MAPTGAALMNAMAPK1HTT
SCHEMBL108985 0.79 MAPT (0.71) MAPTGAALMNAMAPK1HTT
SCHEMBL6814025 0.78 MAPT (0.65) MAPTGAALMNAMAPK1HTT
SCHEMBL4454061 0.78 MAPT (0.37) MAPTGAALMNAMAPK1HTT

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