SCHEMBL28319360

SCHEMBL28319360

CCCC(=O)C(OC(C)C)(OC(C)C)C(C)=O.[AlH3]

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CES1 P23141 2/20 0.31
CES2 O00748 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL9089292 0.85 FFAR3 (0.34) LMNAALDH1A1CES1CES2FFAR3
SCHEMBL27278180 0.84 TSHR (0.31) ALDH1A1
SCHEMBL992243 0.82 FFAR3 (0.36) LMNAALDH1A1CES1CES2FFAR3
SCHEMBL207036 0.79 FFAR3 (0.37) LMNAALDH1A1CES1CES2FFAR3
SCHEMBL27702221 0.79 TSHR (0.39)
SCHEMBL4211118 0.74 MGAM (0.33) ALDH1A1
SCHEMBL9064424 0.74 TSHR (0.39)
SCHEMBL7645399 0.73 TSHR (0.35)
SCHEMBL23776856 0.72 FAAH (0.38) LMNAALDH1A1CES1CES2FFAR3
SCHEMBL29163003 0.72 CA4 (0.32)

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-105838178-B The weatherability coating composition of normal temperature cure 关西涂料株式会社 2019-10-15 CN disclosed