SCHEMBL21883670

SCHEMBL21883670

CCC(C)(C)CCCCCCOC(=O)COc1c2ccccc2c(OCC(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
EGFR P00533 9/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL21883668 0.92 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21883674 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21883677 0.77 TSHR (0.53) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL30594136 0.77 TSHR (0.53) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL21883678 0.76 ALDH1A1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22091836 0.73 HDAC8 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22091831 0.73 HDAC8 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22091794 0.73 HDAC8 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22091807 0.73 HDAC8 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22091833 0.73 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020054116-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed
WO-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed