SCHEMBL28476402

SCHEMBL28476402

CCC(=O)OC(C)(C)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NAAA Q02083 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
SCHEMBL4675418 0.78 FFAR3 (0.36) ALDH1A1NAAA
SCHEMBL6313196 0.76 ALDH1A1 (0.33) ALDH1A1NAAA
SCHEMBL6312350 0.76 ALDH1A1 (0.33) ALDH1A1NAAA
SCHEMBL6312664 0.76 ALDH1A1 (0.33) ALDH1A1NAAA
SCHEMBL17011686 0.75
SCHEMBL2380925 0.75 ALDH1A1 (0.39) ALDH1A1NAAA
SCHEMBL4675922 0.74 DGAT1 (0.41) ALDH1A1LMNAHSD17B10NAAA
SCHEMBL29044089 0.74 ALDH1A1 (0.39) ALDH1A1NAAA
SCHEMBL22289548 0.74 ALOX15 (0.33) ALOX15LMNAHSD17B10
SCHEMBL28378968 0.74 ALDH1A1 (0.39) ALDH1A1NAAA

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-111825611-A 4(1H) -quinovone derivatives and uses thereof 中央研究院 2020-10-27 CN disclosed