SCHEMBL21883674

SCHEMBL21883674

CC(C)(C)OC(=O)COc1c2ccccc2c(OCC(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
PTPN1 P18031 2/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL22656552 0.81 POLB (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5697619 0.81 DDB1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20398155 0.81 DDB1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22091766 0.80 HDAC8 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2448079 0.80 ALOX15 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21883669 0.80 MMP1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30594131 0.79 MMP1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21883673 0.79 MMP1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22091794 0.79 HDAC8 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22091833 0.79 HDAC8 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020213442-A1 PHOTOPOLYMERIZABLE COMPOSITION, COATING FILM CONTAINING SAID PHOTOPOLYMERIZABLE COMPOSITION, AND CURING METHOD THEREFOR 川崎化成工業株式会社 2020-10-22 WO disclosed
WO-2020208833-A1 PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT, PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT-CONTAINING PHOTO-RADICALLY POLYMERIZABLE COMPOSITION, PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT-CONTAINING COATING FILM, AND METHOD FOR CURING SAME 川崎化成工業株式会社 2020-10-15 WO disclosed
WO-2020209209-A1 RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, RADICAL PHOTOPOLYMERIZABLE COMPOSITION CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, COATING CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, AND METHOD FOR CURING SAME 川崎化成工業株式会社 2020-10-15 WO disclosed
WO-2020121384-A1 PHOTOPOLYMERIZATION SENSITIZER HAVING MIGRATION RESISTANCE 川崎化成工業株式会社 2020-06-18 WO disclosed
WO-2020121544-A1 MIGRATION-RESISTANT PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-06-18 WO disclosed
WO-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed
WO-2020054116-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed