SCHEMBL24650403

SCHEMBL24650403

NC1Cc2ccc(OCCC(=O)O)c(O)c2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
ADRA1A P35348 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
TSHR P16473 2/20 0.33
MMP2 P08253 1/20 0.31
OPRK1 P41145 1/20 0.31
FYN P06241 1/20 0.31
S1PR5 Q9H228 2/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL24650751 0.93 PTGDR2 (0.40) PTGDR2ADRA1ATSHRS1PR5CYSLTR2
SCHEMBL24651005 0.86 TDP1 (0.38) PTGDR2ADRA1AL3MBTL1TSHR
SCHEMBL24650747 0.86 ADRA1A (0.39) ADRA1ADRD2DRD3
SCHEMBL24650727 0.84 PDE4A (0.38) ADRA1AL3MBTL1TSHR
SCHEMBL24650390 0.83 LMNA (0.46) LMNAPTGDR2ADRA1AL3MBTL1DRD2
SCHEMBL24650449 0.82 LMNA (0.47) LMNADRD2DRD3S1PR5
SCHEMBL24650729 0.82 MAPT (0.45) ADRA1ADRD2DRD3TSHR
SCHEMBL24650397 0.82 LMNA (0.39) LMNAPTGDR2ADRA1AL3MBTL1DRD2
SCHEMBL24651157 0.81 LMNA (0.41) LMNAPTGDR2ADRA1AL3MBTL1DRD2
SCHEMBL24651147 0.80 PTGDR2 (0.40) LMNAPTGDR2L3MBTL1DRD2DRD3

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-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed