SCHEMBL28613671

SCHEMBL28613671

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 7/20 0.41
CA2 P00918 3/20 0.41
FDPS P14324 1/20 0.40
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL2776462 0.95 CYP3A4 (0.58) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL28613670 0.83 CYP3A4 (0.68) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL21681662 0.82 CYP3A4 (0.72) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL28470774 0.82 CYP3A4 (0.72) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL116247 0.82 CYP3A4 (0.72) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL27678596 0.82 CYP3A4 (0.72) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL163886 0.82 CYP3A4 (0.72) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL672901 0.81 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL2234237 0.81 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL1498141 0.81 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-113056567-A Method for extracting elements from a solution 巴斯夫公司 2021-06-29 CN claimed