SCHEMBL23388296

SCHEMBL23388296

CC(=CCCCC1COC(=O)O1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD81 P60033 1/20 0.33
PPARG P37231 1/20 0.33
TBXAS1 P24557 1/20 0.32
HTT P42858 1/20 0.32
SLC22A12 Q96S37 6/20 0.32

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
SCHEMBL4397865 0.96 TBXAS1 (0.34) CD81PPARGTBXAS1HTTSLC22A12
SCHEMBL4397870 0.96 TBXAS1 (0.34) CD81PPARGTBXAS1HTTSLC22A12
SCHEMBL23388293 0.91 CD81 (0.35) CD81PPARGHTTSLC22A12
SCHEMBL245246 0.82 SLC22A12 (0.32) CD81PPARGSLC22A12
SCHEMBL6061137 0.80 CD81 (0.39) CD81PPARGTBXAS1
SCHEMBL602980 0.80 CD81 (0.39) CD81PPARGTBXAS1
SCHEMBL22150154 0.75 ALDH1A1 (0.41) CD81PPARGTBXAS1
SCHEMBL22150186 0.74 ALDH1A1 (0.44) CD81TBXAS1
SCHEMBL22150187 0.74 ALDH1A1 (0.44) CD81TBXAS1
SCHEMBL22150156 0.74 ALDH1A1 (0.44) CD81TBXAS1

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
WO-2021099943-A1 RADIATION CURABLE INKJET INK, DECORATIVE SHEET, AND METHOD OF PRODUCING DECORATIVE SHEET 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-05-27 WO disclosed