SCHEMBL8883399

SCHEMBL8883399

CCOCC(C(OC)c1cccc(OC)c1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.45
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASR P41180 3/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL28729377 0.75 AOC3 (0.51) AOC3L3MBTL1CASRALDH1A1HPGD
SCHEMBL6205524 0.75 L3MBTL1 (0.50) AOC3ALOX15L3MBTL1CASRALDH1A1
SCHEMBL12263568 0.69 AOC3 (0.53) AOC3L3MBTL1CASRALDH1A1
SCHEMBL12776275 0.69 AOC3 (0.49) AOC3L3MBTL1CASRALDH1A1
SCHEMBL13220754 0.69 AOC3 (0.49) AOC3L3MBTL1CASRALDH1A1
SCHEMBL10152844 0.69 AOC3 (0.49) AOC3L3MBTL1CASRALDH1A1
SCHEMBL27536288 0.68 AOC3 (0.49) AOC3L3MBTL1CASRCHRM2CHRM1
SCHEMBL5389337 0.67 AOC3 (0.49) AOC3L3MBTL1CASRALDH1A1MTNR1A
SCHEMBL16268417 0.67 AOC3 (0.55) AOC3L3MBTL1CASRCHRM2CHRM1
SCHEMBL28746882 0.67 CASR (0.50) AOC3L3MBTL1CASRTSHRMAPK1

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-5698727-A 1,2-dioxetane derivatives, intermediates for syntheses thereof and methods of producing the intermediates MATSUMOTO MASAKATSU (JP) 1997-12-16 US disclosed