SCHEMBL8082019

SCHEMBL8082019

CCCCC(CC)COP([O-])(=S)OCC(CC)CCCC.CCCCC(CC)COP([O-])(=S)OCC(CC)CCCC.CCCCC(CC)COP([O-])(=S)OCC(CC)CCCC.CCCCC(CC)COP([O-])(=S)OCC(CC)CCCC.O=S.[Mo+4]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
CA2 P00918 4/20 0.40
ALDH1A1 P00352 7/20 0.39
RECQL P46063 1/20 0.37
LMNA P02545 2/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
LPAR6 P43657 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR4 Q99677 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
SCHEMBL8082011 0.97 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
Zinc Ion SCHEMBL2184982 0.93 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
2-Ethylhexanoic Acid SCHEMBL8640925 0.84 CA2 (0.57) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL8081922 0.83 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL673699 0.82 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL2234240 0.80 CYP3A4 (0.72) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL9235984 0.80 CYP3A4 (0.57) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL284454 0.80 CYP3A4 (0.66) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL8081920 0.79 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
Zinc Ion SCHEMBL5376471 0.79 CYP3A4 (0.56) CYP3A4L3MBTL1TSHRTDP1ATM

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
EP-0822246-B1 Lubricating oil composition TONEN CORP (JP) 2000-10-04 EP disclosed
EP-0822246-A2 Lubricating oil composition TONEN CORPORATION (JP) 1998-02-04 EP disclosed