SCHEMBL29201224

SCHEMBL29201224

COc1cccc(C(COC(=O)C(C)(C)C)C(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MTNR1A P48039 7/20 0.45
MTNR1B P49286 7/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AOC3 Q16853 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL2634075 0.80 AKR1C3 (0.54) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL29201225 0.76 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL27555215 0.75 MTNR1A (0.63) L3MBTL1MTNR1AMTNR1B
SCHEMBL683356 0.75 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL29201240 0.74 L3MBTL1 (0.48) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL13184918 0.74 MTNR1A (0.48) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL21217301 0.74 L3MBTL1 (0.48) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL2847001 0.73 AKR1C3 (0.50) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL21656313 0.73 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAOC3PARP1
SCHEMBL24765275 0.73 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BCES2CES1

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-115500357-B Photosensitive bactericide based on berberine derivative 深圳市儿童医院 2024-03-26 CN disclosed