SCHEMBL28895751

SCHEMBL28895751

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

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 7/20 0.44
CA2 P00918 3/20 0.41
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
FDPS P14324 1/20 0.35

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
SCHEMBL29242255 0.90 CYP3A4 (0.62) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL28613670 0.87 CYP3A4 (0.68) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL19362857 0.82 CYP3A4 (1.00) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL35485 0.82 CYP3A4 (1.00) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL19349696 0.82 CYP3A4 (0.66) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL29156526 0.82 CYP3A4 (0.60) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL29880197 0.81 CYP3A4 (0.96) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL11821344 0.81 CYP3A4 (0.75) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL31197927 0.80 CYP3A4 (0.62) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL23535274 0.79 CYP3A4 (0.72) 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
CN-111500879-B Method for extracting rare earth elements based on magnetic Janus particles 清华大学 2021-07-27 CN disclosed
CN-111500879-A Method for extracting rare earth elements based on magnetic Janus particles 清华大学 2020-08-07 CN disclosed