SCHEMBL10632584

SCHEMBL10632584

CC(O)C(=O)OCC(C)(C)CO

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
TP53 P04637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
SERPINE1 P05121 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL1636727 0.84 ALDH1A1 (0.37) HTTALDH1A1SERPINE1GRIN2DGRIN3B
SCHEMBL9489545 0.83 HTT (0.33) HTTSERPINE1
Isopropyl Alcohol SCHEMBL6934166 0.81 SERPINE1 (0.31) HTTSERPINE1
SCHEMBL13917721 0.81 SERPINE1 (0.31) HTTSERPINE1GRIN2DGRIN3BGRIN1
SCHEMBL17559986 0.81 MMP8 (0.37) HTTSERPINE1GRIN2DGRIN3BGRIN1
SCHEMBL22345976 0.80 HTT (0.37) HTTTP53CYP3A4MAPK1HIF1A
SCHEMBL4187826 0.79 HTT (0.39) HTTTP53MAPK1GRIN2DGRIN3B
SCHEMBL10280097 0.79 HTT (0.39) HTTTP53MAPK1GRIN2DGRIN3B
SCHEMBL30925319 0.79 HTT (0.33) HTTTP53ALDH1A1CYP3A4MAPK1
SCHEMBL24239454 0.78 HTT (0.36) HTT

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
US-4724254-A Water dispersible binders for cationic electra-coating and method for preparation BASF FARBEN & FASERN AG (DE) 1988-02-09 US disclosed