SCHEMBL27678596

SCHEMBL27678596

CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.CCCCC(CC)COP(=O)(O)OCC(CC)CCCC

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
TSHR P16473 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 7/20 0.47
FDPS P14324 1/20 0.45
CA2 P00918 3/20 0.45
RECQL P46063 1/20 0.43
LMNA P02545 2/20 0.41
PLA2G2A P14555 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL116247 1.00 CYP3A4 (0.72) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL1396929 0.98 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL3293087 0.98 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL9421883 0.98 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL673698 0.98 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRTDP1ATM
Phosphoric Acid SCHEMBL9387761 0.98 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL672901 0.98 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL1498141 0.98 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL3959360 0.98 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRTDP1ATM
Hydrochloric Acid SCHEMBL28779791 0.98 CYP3A4 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1938408-A Lubricating composition for industrial machinery NIPPON OIL CORP (JP) 2007-03-28 CN disclosed