SCHEMBL28170708

SCHEMBL28170708

CC(=O)COOCC(C)=O.CC(C)COOCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 5/20 0.41
CES2 O00748 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL93338 0.81 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCES2
SCHEMBL11758173 0.78 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCES2
SCHEMBL28032778 0.78 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCES2
SCHEMBL8383906 0.77
SCHEMBL10878469 0.75 LMNA (0.38) ALDH1A1TSHR
Hydrogen Peroxide SCHEMBL28165881 0.74 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL35239 0.74 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL2592643 0.72
SCHEMBL27419962 0.71 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL19294682 0.70

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-107001762-A Acrylic resin composition and laminate obtained by laminating the same 株式会社艾迪科 2017-08-01 CN disclosed