SCHEMBL29477140

SCHEMBL29477140

CC(C)(O)c1cccc2occc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
FTO Q9C0B1 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
KCNA3 P22001 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CA2 P00918 1/20 0.34
DRD2 P14416 3/20 0.33
HTR2A P28223 3/20 0.33
DRD3 P35462 3/20 0.33
FADS1 O60427 1/20 0.33
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
ABCB1 P08183 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
EED O75530 2/20 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
SCHEMBL2607564 0.84 CA2 (0.41) MAOAMAOBFTOMTNR1AMTNR1B
SCHEMBL15582378 0.82 MAOA (0.34) MAOAMAOBFTOMTNR1AMTNR1B
SCHEMBL6090241 0.80 MTNR1A (0.37) MAOAMAOBFTOMTNR1AMTNR1B
SCHEMBL22023990 0.79 KCNA3 (0.37) MAOAMAOBFTOMTNR1AMTNR1B
SCHEMBL15590666 0.78 KDM4E (0.40) MAOAMAOBFTOKCNA3MEN1
SCHEMBL31698920 0.76 MAOA (0.41) MAOAMAOBFTOKCNA3SLC6A2
SCHEMBL826552 0.76 MAOA (0.41) MAOAMAOBFTOKCNA3SLC6A2
SCHEMBL548252 0.74 CA2 (0.46) CA2MEN1KMT2ACYP2C19GABRA1
SCHEMBL10559466 0.73 ALOX5 (0.34) MAOAMAOBFTOMTNR1AMTNR1B
SCHEMBL21162955 0.73 KCNA3 (0.45) MAOAMAOBFTOMTNR1AMTNR1B

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-114088827-A Application of shikimic acid and quinic acid as characteristic markers of linden honey 中国农业科学院蜜蜂研究所 2022-02-25 CN disclosed