SCHEMBL28969201

SCHEMBL28969201

Cc1ccc(OC(=O)C(C)CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ELANE P08246 2/20 0.43
ALDH1A1 P00352 2/20 0.43
FFAR1 O14842 4/20 0.42
GAA P10253 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL28969199 0.86 LMNA (0.49) LMNAL3MBTL1ELANEALDH1A1GAA
SCHEMBL26153395 0.86 ELANE (0.49) LMNAL3MBTL1ELANEALDH1A1FFAR1
SCHEMBL29154406 0.84 LMNA (0.50) LMNAL3MBTL1ELANEALDH1A1FFAR1
SCHEMBL30211014 0.83 LMNA (0.46) LMNAL3MBTL1ELANEALDH1A1GAA
SCHEMBL12419169 0.82 LMNA (0.52) LMNAL3MBTL1ELANEALDH1A1GAA
SCHEMBL28969236 0.81 LMNA (0.54) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL16906272 0.81 LMNA (0.50) LMNAL3MBTL1ELANEALDH1A1GAA
SCHEMBL17882061 0.79 LMNA (0.48) LMNAL3MBTL1ELANEALDH1A1GAA
SCHEMBL23798672 0.78 LMNA (0.52) LMNAL3MBTL1ELANEALDH1A1GAA
SCHEMBL15965768 0.78 LMNA (0.47) LMNAELANEALDH1A1GAAKMT2A

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-115667585-A Closed-loop cooling water corrosion inhibition using polymaleate and non-borate buffers 埃科莱布美国股份有限公司 2023-01-31 CN disclosed