SCHEMBL30003553

SCHEMBL30003553

CC1=C(O)C(=O)c2cc(C)ccc2C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.73
MAOB P27338 2/20 0.73
ELANE P08246 1/20 0.59
LCK P06239 1/20 0.53
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
BCL2 P10415 1/20 0.45
MCL1 Q07820 1/20 0.45
USP8 P40818 1/20 0.44
USP7 Q93009 1/20 0.44
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
UGT1A1 P22309 1/20 0.43
POLB P06746 2/20 0.42
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NQO1 P15559 3/20 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
SCHEMBL23271984 1.00 MAOA (0.73) MAOAMAOBELANELCKCA1
SCHEMBL9353826 0.90 MAOA (0.68) MAOAMAOBELANELCKCA1
SCHEMBL571353 0.85 MAOA (1.00) MAOAMAOBELANELCKCA1
SCHEMBL30905230 0.85 MAOA (1.00) MAOAMAOBELANELCKCA1
SCHEMBL28977316 0.84 MAOA (0.61) MAOAMAOBELANELCKCA1
SCHEMBL30004025 0.84 ESR2 (0.65) MAOAMAOBLCKCA1CA2
SCHEMBL23271681 0.84 ESR2 (0.65) MAOAMAOBLCKCA1CA2
SCHEMBL23271795 0.81 S100A4 (0.55) MAOAMAOBELANEUSP8USP7
SCHEMBL8993506 0.81 S100A4 (0.55) MAOAMAOBELANEUSP8USP7
SCHEMBL583153 0.80 ELANE (0.86) MAOAMAOBELANELCKCA1

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed