SCHEMBL28620375

SCHEMBL28620375

CC=COCCCCCCOc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.61
LTA4H P09960 4/20 0.53
GAA P10253 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRMT1 Q99873 2/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
PRMT5 O14744 1/20 0.40

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
SCHEMBL8225640 1.00 NR5A1 (0.61) NR5A1LTA4HGAADRD2DRD4
SCHEMBL8225106 0.98 NR5A1 (0.58) NR5A1LTA4HGAADRD2DRD4
SCHEMBL11230467 0.81 NR5A1 (0.79) NR5A1LTA4HGAADRD2DRD4
SCHEMBL1129755 0.81 NR5A1 (0.79) NR5A1LTA4HGAADRD2DRD4
SCHEMBL9128116 0.81 NR5A1 (0.79) NR5A1LTA4HGAADRD2DRD4
SCHEMBL6858863 0.81 NR5A1 (0.79) NR5A1LTA4HGAADRD2DRD4
SCHEMBL16902827 0.81 NR5A1 (0.79) NR5A1LTA4HGAADRD2DRD4
SCHEMBL8571102 0.81 NR5A1 (0.79) NR5A1LTA4HGAADRD2DRD4
SCHEMBL16902828 0.81 NR5A1 (0.79) NR5A1LTA4HGAADRD2DRD4
SCHEMBL9128336 0.81 NR5A1 (0.79) NR5A1LTA4HGAADRD2DRD4

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-108463452-B Method for producing acid halide solution and method for producing monoester compound 日本瑞翁株式会社 2021-07-20 CN disclosed