SCHEMBL29201240

SCHEMBL29201240

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.45
AOC3 Q16853 2/20 0.44
ACHE P22303 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL28804126 0.81 L3MBTL1 (0.57) L3MBTL1POLBAOC3CES2CES1
SCHEMBL28804124 0.81 L3MBTL1 (0.57) L3MBTL1POLBAOC3CES2CES1
SCHEMBL29201225 0.80 L3MBTL1 (0.50) L3MBTL1AOC3MTNR1AMTNR1BLMNA
SCHEMBL16984925 0.79 L3MBTL1 (0.46) L3MBTL1AOC3CES2CES1MTNR1A
SCHEMBL27298887 0.79 L3MBTL1 (0.51) L3MBTL1POLBAOC3MTNR1AMTNR1B
SCHEMBL2609246 0.79 HCAR2 (0.54) L3MBTL1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL585750 0.79 HCAR2 (0.54) L3MBTL1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL12383240 0.78 MTNR1A (0.53) L3MBTL1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL7188262 0.78 L3MBTL1 (0.47) L3MBTL1POLBAOC3CES2CES1
SCHEMBL7192135 0.78 L3MBTL1 (0.47) L3MBTL1POLBAOC3CES2CES1

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