SCHEMBL28095401

SCHEMBL28095401

CCCCC(C)=O.COC(C)CCO

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.36
CES2 O00748 2/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 3/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL28302725 0.82 MAPT (0.46) CES1CES2FAAHLMNAMAPT
Butyl Alcohol SCHEMBL7087737 0.81 ALDH1A1 (0.50) CA1CA2LMNATP53ALDH1A1
SCHEMBL28261845 0.79 CES1 (0.43) CES1CES2FAAHCA1CA2
SCHEMBL28098793 0.79 CA1 (0.44) FAAHCA1CA2TP53ALDH1A1
Acetic Acid SCHEMBL866008 0.78 GABRP (0.34) ALDH1A1MAPT
SCHEMBL10439675 0.76
SCHEMBL3913590 0.76
SCHEMBL28708 0.76
SCHEMBL15920358 0.76
SCHEMBL28852903 0.75 LMNA (0.53) CES1CES2FAAHLMNAALDH1A1

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-106249542-A Semiconductor device, stack-up type semiconductor device, sealing back-set bed type semiconductor device and the manufacture method of these devices 信越化学工业株式会社 2016-12-21 CN disclosed