SCHEMBL6686683

SCHEMBL6686683

CC(=O)OCCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.44
STAT3 P40763 2/20 0.44
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
CA2 P00918 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHODH Q02127 1/20 0.39
CYP24A1 Q07973 1/20 0.38

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
SCHEMBL13740848 0.97 PSMD10 (0.44) PSMD10STAT3ALDH1A1CA12CA1
SCHEMBL28909492 0.94 PSMD10 (0.41) PSMD10STAT3ALDH1A1TDP1CA12
SCHEMBL29768603 0.87 PSMD10 (0.43) PSMD10STAT3ALDH1A1CA12CA1
SCHEMBL483847 0.87 ALDH1A1 (0.50) PSMD10STAT3ALDH1A1CA12CA1
SCHEMBL20088146 0.86 ALDH1A1 (0.43) PSMD10STAT3ALDH1A1CA12CA1
SCHEMBL2708882 0.86 ALDH1A1 (0.43) PSMD10STAT3ALDH1A1CA12CA1
SCHEMBL10592281 0.85 CA1 (0.43) PSMD10STAT3ALDH1A1TDP1CA12
SCHEMBL15665928 0.84 STAT3 (0.46) PSMD10STAT3ALDH1A1CA12CA1
SCHEMBL21642624 0.84 STAT3 (0.38) PSMD10STAT3ALDH1A1TDP1CA12
SCHEMBL20476384 0.84 STAT3 (0.38) PSMD10STAT3ALDH1A1TDP1CA12

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
US-20090297955-A1 OPTICAL RECORDING COMPOSITION, HOLOGRAPHIC RECORDING MEDIUM, AND METHOD OF RECORDING AND REPRODUCING INFORMATION FUJIFILM CORPORATION (JP) 2009-12-03 US disclosed
WO-2004097026-A1 THE ENZYMATIC METHOD OF MAKING 1,2-DIOL DERIVATIVES AND THEIR ESTERS ENZYTECH, LTD. (KR) 2004-11-11 WO disclosed