SCHEMBL28804124

SCHEMBL28804124

COc1cccc([C@H](C)OC(N)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
PARP1 P09874 1/20 0.51
AOC3 Q16853 3/20 0.50
TRPM8 Q7Z2W7 2/20 0.49
POLB P06746 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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 1.00 L3MBTL1 (0.57) L3MBTL1PARP1AOC3TRPM8POLB
SCHEMBL528282 0.83 KMT2A (0.43) L3MBTL1PARP1TDP1KMT2AALDH1A1
SCHEMBL12327035 0.83 ALOX5 (0.61) L3MBTL1TDP1
SCHEMBL29201240 0.81 L3MBTL1 (0.48) L3MBTL1AOC3POLBCES2CES1
SCHEMBL27298887 0.81 L3MBTL1 (0.51) L3MBTL1AOC3POLBMTNR1AMTNR1B
SCHEMBL7188262 0.80 L3MBTL1 (0.47) L3MBTL1AOC3TRPM8POLBCES2
SCHEMBL7192135 0.80 L3MBTL1 (0.47) L3MBTL1AOC3POLBCES2CES1
SCHEMBL25226434 0.80 L3MBTL1 (0.65) L3MBTL1PARP1AOC3TRPM8POLB
SCHEMBL3424145 0.80 PARP1 (0.46) PARP1AOC3TRPM8TDP1ALDH1A1
SCHEMBL3715003 0.80 ADRB1 (0.50) PARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114804989-B Purification method and racemization recycling of rivastigmine key chiral intermediate 华中科技大学 2023-12-26 CN disclosed
CN-114804989-A Purification method and racemization recycling of rivastigmine key chiral intermediate 华中科技大学 2022-07-29 CN disclosed