SCHEMBL28192016

SCHEMBL28192016

CCCOc1ccccc1CC(O)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
CYP1A2 P05177 3/20 0.45
KDM4E B2RXH2 2/20 0.45
AGTR1 P30556 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
BCHE P06276 1/20 0.38

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
SCHEMBL16809470 0.92 CYP1A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL27486127 0.87 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL5696510 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL12634432 0.81 MAPT (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL74797 0.80 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL12250771 0.80 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL7506347 0.80 LMNA (0.59) CYP1A2KDM4EAGTR1LMNAMAPT
SCHEMBL7506353 0.80 LMNA (0.59) CYP1A2KDM4EAGTR1LMNAMAPT
SCHEMBL15118676 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL500671 0.79 CYP1A2 (0.44) SLC6A2SLC6A4SLC6A3CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109803988-A Curing accelerator and free-radical polymerised resin combination 昭和电工株式会社 2019-05-24 CN disclosed
CN-107428855-B Radically polymerizable resin composition, method for curing same, method for producing same, use of radically polymerizable resin composition, and method for using same 昭和电工株式会社 2019-03-15 CN disclosed
CN-107428855-A Radically polymerizable resin composition, method for curing same, method for producing same, use of radically polymerizable resin composition, and method for using same 昭和电工株式会社 2017-12-01 CN disclosed