SCHEMBL21883671

SCHEMBL21883671

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
CASP9 P55211 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
TACR3 P29371 1/20 0.30
RIPK1 Q13546 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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 0.72 PSEN1 (0.35) KDM4EALDH1A1HPGDPSEN1PSEN2
SCHEMBL21883680 0.71 ALDH1A1 (0.49) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL30594155 0.71 ALDH1A1 (0.49) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL21883670 0.71 PSEN1 (0.41) KDM4EALDH1A1HPGDPSEN1PSEN2
SCHEMBL21883669 0.70 MMP1 (0.40) KDM4EALDH1A1MAPTPSEN1PSEN2
SCHEMBL21883674 0.70 PSEN1 (0.46) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL21883678 0.69 ALDH1A1 (0.52) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL21883681 0.68 CASP3 (0.55) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL21883677 0.68 TSHR (0.53) KDM4EALDH1A1HPGDTDP1LMNA
SCHEMBL30594136 0.68 TSHR (0.53) KDM4EALDH1A1HPGDTDP1LMNA

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