SCHEMBL29953499

SCHEMBL29953499

CCN(C)C(C)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.36
FFAR3 O14843 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL20041198 0.82 GPR84 (0.35) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL23222845 0.78 SLC22A6 (0.38) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL104890 0.78 PGR (0.39) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL103177 0.78 PGR (0.39) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL17772992 0.77 SLC22A6 (0.33) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL15825625 0.77 GABRP (0.46) FFAR3MAPT
SCHEMBL103866 0.77
SCHEMBL105805 0.77
SCHEMBL17773068 0.76 SLC22A6 (0.42) SLC22A6FFAR3TDP1CACNA2D1CACNB3
Bromide SCHEMBL28248943 0.76 PGR (0.38) SLC22A6FFAR3TDP1CACNA2D1CACNB3

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed