SCHEMBL28294404

SCHEMBL28294404

CCC=C(OCC)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GLO1 Q04760 1/20 0.45
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
TRPA1 O75762 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.33
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPT P10636 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
SCHEMBL27047 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL27715620 0.81 NPSR1 (0.45) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL43125 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL1135174 0.79 ALOX15 (0.48) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL27656796 0.79 ALOX15 (0.48) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL27490028 0.77 GAA (0.41) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL9934809 0.76 ALOX15 (0.39) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL11109345 0.74 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL1603810 0.74 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10GLO1ALOX15
SCHEMBL11412169 0.74 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10GLO1ALOX15

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-109761761-A A kind of preparation method of ethoxy propylene 山东国邦药业股份有限公司 2019-05-17 CN disclosed