SCHEMBL30002616

SCHEMBL30002616

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
NQO1 P15559 4/20 0.46
POR P16435 4/20 0.46
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CDC25A P30304 3/20 0.37
CDC25B P30305 3/20 0.37
ELANE P08246 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35

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
SCHEMBL5808549 1.00 MAOA (0.56) MAOAMAOBNQO1PORGRIN2D
SCHEMBL3420118 0.87 NQO1 (0.50) MAOAMAOBNQO1PORGRIN2D
SCHEMBL9751019 0.84 NQO1 (0.54) MAOAMAOBNQO1PORGRIN2D
SCHEMBL10421261 0.84 NQO1 (0.48) MAOAMAOBNQO1PORGRIN2D
SCHEMBL23271977 0.82 DUSP3 (0.46) MAOAMAOBNQO1PORTDP2
SCHEMBL9627662 0.82 NQO1 (0.42) MAOAMAOBNQO1PORCDC25A
SCHEMBL30002598 0.82 DUSP3 (0.46) MAOAMAOBNQO1PORTDP2
SCHEMBL9627431 0.80 CDC25A (0.65) MAOAMAOBNQO1PORCDC25A
SCHEMBL571497 0.78 NQO1 (0.43) MAOAMAOBNQO1PORCDC25A
SCHEMBL11350061 0.77 AURKA (0.44) MAOAMAOBNQO1PORGRIN2D

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