SCHEMBL28020836

SCHEMBL28020836

C=CC(=O)OCC(Cl)OCC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
HPGD P15428 1/20 0.44
ALDH1A1 P00352 5/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 3/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL35468 0.81 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2533376 0.79 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7116239 0.79 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17760715 0.78 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28886131 0.78 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL554767 0.78 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1170750 0.77 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17324120 0.76 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2332613 0.76 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28545506 0.76 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A

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
CN-103365133-B Production process for colorant, colorant composition, toner, ink for ink jet recording and color filter KONICA MINOLTA BUSINESS TECH 2015-06-17 CN disclosed