SCHEMBL28052829

SCHEMBL28052829

CCCCOC(C(C)=O)(C(C)=O)C(C)=O.[Zr]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.40
TSHR P16473 5/20 0.38
CES2 O00748 3/20 0.38
HPGD P15428 1/20 0.38
HCAR2 Q8TDS4 1/20 0.35
CES1 P23141 2/20 0.34
CYP3A4 P08684 1/20 0.34
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 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
SCHEMBL28053022 0.95 ALDH1A1 (0.48) ALDH1A1ATMTSHRCES2HPGD
SCHEMBL27586200 0.86 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27536213 0.84 ALDH1A1 (0.42) ALDH1A1ATMTSHRCES2HPGD
SCHEMBL27658429 0.81 CES2 (0.51) ALDH1A1ATMTSHRCES2CES1
SCHEMBL27619376 0.78 ALDH1A1 (0.37) ALDH1A1ATMTSHRCES2HPGD
SCHEMBL9649662 0.77 ALDH1A1 (0.48) ALDH1A1ATMTSHRCES2HPGD
SCHEMBL14760341 0.76 ALDH1A1 (0.46) ALDH1A1ATMTSHRCES2HPGD
SCHEMBL28656011 0.74 ALDH1A1 (0.45) ALDH1A1ATMTSHRCES2HPGD
SCHEMBL27340502 0.74 ALDH1A1 (0.40) ALDH1A1ATMTSHRCES2HPGD
SCHEMBL10935675 0.72 ALDH1A1 (0.43) ALDH1A1ATMTSHRCES2HPGD

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-105684135-A Field-effect transistor, display element, image display device, and system 株式会社理光 2016-06-15 CN disclosed