SCHEMBL28488442

SCHEMBL28488442

CCOC(=O)N(CC(C)C)C(CC(=O)O)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 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
SCHEMBL28482602 0.92 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL28494396 0.89 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL21522880 0.88 MGAM (0.34) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL28488515 0.86 ALDH1A1 (0.35) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL28485049 0.86 ALDH1A1 (0.38) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL28488782 0.84 GPR84 (0.35) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL28488314 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL28902215 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL28485856 0.81 CACNA2D1 (0.37) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL28490843 0.81 ALDH1A1 (0.38) ALDH1A1HSD17B10LMNAPOLBL3MBTL1

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-109890852-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2020-10-20 CN disclosed