SCHEMBL29201225

SCHEMBL29201225

COc1cccc(C(CC(C)=O)OC(=O)C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MTNR1A P48039 7/20 0.45
MTNR1B P49286 7/20 0.45
AOC3 Q16853 3/20 0.44
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 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
SCHEMBL29201240 0.80 L3MBTL1 (0.48) L3MBTL1MTNR1AMTNR1BAOC3LMNA
SCHEMBL16984925 0.77 L3MBTL1 (0.46) L3MBTL1MTNR1AMTNR1BAOC3LMNA
SCHEMBL29201224 0.76 L3MBTL1 (0.47) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL27553225 0.75 L3MBTL1 (0.77) L3MBTL1MTNR1AMTNR1BAOC3LMNA
SCHEMBL27553226 0.75 L3MBTL1 (0.77) L3MBTL1MTNR1AMTNR1BAOC3LMNA
SCHEMBL7464005 0.74 LMNA (0.54) L3MBTL1MTNR1AMTNR1BLMNA
SCHEMBL12383240 0.74 MTNR1A (0.53) L3MBTL1MTNR1AMTNR1BLMNA
SCHEMBL29110950 0.73 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BAOC3CHRM2
SCHEMBL12861295 0.71 TDP1 (0.61) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL11468345 0.71 AOC3 (0.55) L3MBTL1MTNR1AMTNR1BAOC3

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