SCHEMBL21883668

SCHEMBL21883668

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
EGFR P00533 10/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL21883670 0.92 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21883669 0.78 MMP1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21883677 0.76 TSHR (0.53) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL30594136 0.76 TSHR (0.53) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL21883678 0.75 ALDH1A1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16254536 0.74 DGKA (0.45) TSHR
SCHEMBL21883671 0.72 KDM4E (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21883680 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL30594155 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL14607663 0.71 ALDH1A1 (0.49) ALDH1A1HPGDLMNATSHRTDP1

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-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