SCHEMBL871073

SCHEMBL871073

C=C(C)C(=O)OCCOC(CC(=O)O)(C(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ELANE P08246 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
SLC13A5 Q86YT5 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BLM P54132 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM2 P08172 2/20 0.32

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
SCHEMBL115658 0.81 KIF11 (0.46) CYP2C19THRBPOLBAPEX1HTT
SCHEMBL11054828 0.78 THRB (0.45) CYP2C19THRBPOLBAPEX1HTT
SCHEMBL22711060 0.78 THRB (0.45) CYP2C19THRBPOLBAPEX1HTT
SCHEMBL19012586 0.77 THRB (0.44) CYP2C19THRBPOLBAPEX1HTT
SCHEMBL9848763 0.76 CES1 (0.51) HIF1ATHRBPOLBAPEX1HTT
SCHEMBL10895273 0.75 THRB (0.39) THRBPOLBAPEX1HTTTDP1
SCHEMBL28552216 0.74 POLB (0.44) CYP2C19HIF1ATHRBPOLBAPEX1
Benzene SCHEMBL28145673 0.73 THRB (0.65) THRBPOLBAPEX1HTTTDP1
SCHEMBL24312367 0.73 TDP1 (0.48) THRBPOLBAPEX1HTTTDP1
SCHEMBL28173347 0.73 TDP1 (0.51) THRBPOLBAPEX1HTTTDP1

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
US-20120077668-A1 PHOTOCATALYST-SUPPORTING SHEET AND PRIMER FOR PHOTOCATALYST-SUPPORTING SHEET DIC CORPORATION (JP) 2012-03-29 US disclosed