SCHEMBL21883675

SCHEMBL21883675

CCc1ccc2c(OCC(=O)OC(C)C)c3ccccc3c(OCC(=O)OC(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
TSHR P16473 3/20 0.43
ALDH1A1 P00352 7/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
LMNA P02545 2/20 0.39
PRNP P04156 2/20 0.39
ESR1 P03372 1/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL21883682 0.86 MAPT (0.59) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL22091787 0.85 LMNA (0.41) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL22091781 0.84 LMNA (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22091826 0.84 LMNA (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22091922 0.84 LMNA (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22091908 0.82 TSHR (0.41) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL20398696 0.81 TSHR (0.39) MAPTTSHRALDH1A1HPGDKDM4E
SCHEMBL30003118 0.81 TSHR (0.39) MAPTTSHRALDH1A1HPGDKDM4E
SCHEMBL30594109 0.81 LMNA (0.38) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL30594119 0.79 TSHR (0.40) MAPTPSEN1PSEN2APH1BNCSTN

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