SCHEMBL28005703

SCHEMBL28005703

C=C(OCC)C(=O)OCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.35
TRPA1 O75762 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLO1 Q04760 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP1 P29466 1/20 0.33
EGLN1 Q9GZT9 1/20 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
SCHEMBL94679 0.85 ALDH1A1 (0.54) ALDH1A1TSHRLMNAHSD17B10ALOX15
Hydrochloric Acid SCHEMBL27667582 0.83 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL28005700 0.83 THRB (0.42) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL17414054 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL4848972 0.78 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL6283556 0.77 THRB (0.45) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL11123875 0.77 ALDH1A1 (0.47) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL736527 0.76
SCHEMBL2355275 0.76
SCHEMBL25332749 0.76 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10ALOX15

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-104835551-A Highly conductive water-based ink SUN CHEMICAL CORP 2015-08-12 CN disclosed