SCHEMBL28296028

SCHEMBL28296028

CCCCCCCC1COC(=O)C1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.69
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 2/20 0.41
CHRM5 P08912 2/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
EPHX1 P07099 1/20 0.37
PRKCA P17252 5/20 0.36
TSHR P16473 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL9136471 1.00 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL6662416 1.00 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL664978 1.00 CYP1A2 (0.69) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL8710704 0.98 CYP1A2 (0.71) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL28238797 0.98 CYP1A2 (0.71) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL28237732 0.98 CYP1A2 (0.71) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL5988542 0.92 CYP1A2 (0.62) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL5105796 0.92 CYP1A2 (0.62) CYP1A2ALDH1A1L3MBTL1PPARGCHRM5
SCHEMBL9862755 0.88 CYP1A2 (0.55) CYP1A2PPARGPRKCA
SCHEMBL28363554 0.86

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-109832623-A A kind of nutrition fermented food 臻味之(烟台)食品科技有限公司 2019-06-04 CN disclosed