SCHEMBL8081920

SCHEMBL8081920

CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.O=S.[Mo+6]

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
ALDH1A1 P00352 7/20 0.42
CA2 P00918 3/20 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
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 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
SCHEMBL8081922 0.97 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL1128103 0.96 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL9649339 0.93 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL7516775 0.93 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL7557219 0.93 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL4463574 0.93 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
Zinc Ion SCHEMBL166463 0.93 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL9076587 0.93 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL3781028 0.93 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL6693742 0.93 CYP3A4 (0.59) 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