SCHEMBL30731534

SCHEMBL30731534

CC(C)C1Cc2ccc(-c3ccccc3)cc2OC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TYRO3 Q06418 1/20 0.36
NTRK2 Q16620 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
TDP2 O95551 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PTGS2 P35354 1/20 0.35
PRKDC P78527 1/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
XBP1 P17861 1/20 0.34
PTBP1 P26599 1/20 0.34

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
SCHEMBL29279610 1.00 PPARG (0.37) PPARGPPARAHRH3TYRO3NTRK2
SCHEMBL30731535 0.89 HRH3 (0.44) HRH3GPR119TDP2SIRT2PTGS2
SCHEMBL29279612 0.89 HRH3 (0.44) HRH3GPR119TDP2SIRT2PTGS2
SCHEMBL29629330 0.81 PPARG (0.40) PPARGATM
SCHEMBL28596564 0.81 PPARG (0.40) PPARGATM
SCHEMBL28596563 0.81 PPARG (0.40) PPARGATM
SCHEMBL28585902 0.80 MAOB (0.39) SIRT2NPC1
SCHEMBL29629329 0.80 MAOB (0.39) SIRT2NPC1
SCHEMBL28988617 0.80 MAOB (0.39) SIRT2NPC1
SCHEMBL29629335 0.78 ADRA2A (0.40) SIRT2LMNAATMNPSR1

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-115974825-B Method for preparing 3-substituted chromanone by metal-free catalytic hydrogenation 中国科学院化学研究所 2024-03-05 CN disclosed