SCHEMBL4454061

SCHEMBL4454061

CCc1cccc(OP(=O)(Oc2cccc(CC)c2CC)c2ccccc2C)c1CC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31

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
SCHEMBL4458097 0.89 L3MBTL1 (0.37) MAPTL3MBTL1NPSR1HTTKMT2A
SCHEMBL4454064 0.86 ALDH1A1 (0.38) MAPTCYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL4454706 0.85 LTB4R (0.39) MAPTCYP1A2CYP3A4CYP2C19HIF1A
SCHEMBL4451168 0.84 LTB4R (0.35) MAPTL3MBTL1NPSR1HTTKMT2A
SCHEMBL4454807 0.83 LTB4R (0.38) MAPTCYP1A2CYP3A4CYP2C19HIF1A
SCHEMBL4460847 0.83 L3MBTL1 (0.40) MAPTL3MBTL1NPSR1HTTKMT2A
SCHEMBL4451592 0.82 PTGS2 (0.38) HIF1A
SCHEMBL4452099 0.81 MAPT (0.45) MAPTCYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL4455460 0.80 L3MBTL1 (0.46) MAPTL3MBTL1NPSR1HTTKMT2A
SCHEMBL1726271 0.79 KDM4E (0.45) MAPTCYP1A2CYP3A4CYP2C19NPSR1

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