SCHEMBL30002598

SCHEMBL30002598

CC1=C(O)C(=O)c2cc(C)c(C)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.46
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
NQO1 P15559 3/20 0.39
POR P16435 3/20 0.39
MAPT P10636 6/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
RECQL P46063 1/20 0.38
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
USP2 O75604 1/20 0.35
UGT1A1 P22309 1/20 0.34
EPHX2 P34913 2/20 0.34
BCL2 P10415 1/20 0.33

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
SCHEMBL23271977 1.00 DUSP3 (0.46) DUSP3MAOAMAOBNQO1POR
SCHEMBL23271876 0.82 DUSP3 (0.43) DUSP3MAOAMAOBMAPTKDM4E
SCHEMBL30003176 0.82 DUSP3 (0.43) DUSP3MAOAMAOBMAPTKDM4E
SCHEMBL30002616 0.82 MAOA (0.56) MAOAMAOBNQO1PORMAPT
SCHEMBL5808549 0.82 MAOA (0.56) MAOAMAOBNQO1PORMAPT
SCHEMBL23271681 0.79 ESR2 (0.65) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL23271984 0.79 MAOA (0.73) DUSP3MAOAMAOBNQO1POR
SCHEMBL30004025 0.79 ESR2 (0.65) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL30003553 0.79 MAOA (0.73) DUSP3MAOAMAOBNQO1POR
SCHEMBL29728498 0.76 APAF1 (0.68) DUSP3MAOAMAPTKDM4EMEN1

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