SCHEMBL8031982

SCHEMBL8031982

CCC(C)(C)OOOC(=O)CCCCC(=O)OOOC(C)(C)CC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.35
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
PAM P19021 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 2/20 0.31
ALOX15 P16050 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
DNM1 Q05193 1/20 0.30
NAAA Q02083 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
SCHEMBL7995222 0.98 DGKA (0.38) DGKALMNATSHRPAMMAPT
SCHEMBL9617938 0.98 DGKA (0.38) DGKALMNATSHRPAMMAPT
SCHEMBL8022285 0.96 TSHR (0.38) DGKATSHRRECQLCYP1A2ALDH1A1
SCHEMBL5463572 0.94 DGKA (0.44) DGKALMNATSHRPAMMAPT
SCHEMBL7699787 0.93 DGKA (0.47) DGKALMNATSHRPAMMAPT
SCHEMBL28363410 0.92 MEN1 (0.38) DGKALMNATSHRPAMMAPT
SCHEMBL8022278 0.92 ALDH1A1 (0.33) LMNATSHRMAPTALDH1A1TDP1
SCHEMBL29526099 0.91 DGKA (0.31) DGKA
SCHEMBL6659869 0.91 KDM4E (0.38) DGKALMNAPAMMAPTMAPK1
SCHEMBL6662610 0.91 KDM4E (0.38) DGKALMNAPAMMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000068192-A2 PROCESS FOR THE PREPARATION OF (DI)ALKYLPEROXY ESTERS OF (DI)CARBOXYLIC ACIDS AKZO NOBEL N.V. (NL) 2000-11-16 WO disclosed