SCHEMBL27809161

SCHEMBL27809161

CCN(C(=O)C(CCc1cccc(Oc2ccc(F)cc2)c1)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.42
CETP P11597 8/20 0.41
PTGES O14684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALOX5 P09917 2/20 0.39
CPB1 P15086 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
SCHEMBL27787139 0.92 CETP (0.42) FDFT1CETPPTGESALDH1A1MAPT
SCHEMBL3089145 0.90 PPARG (0.46) CETPPTGESALDH1A1MAPTL3MBTL1
SCHEMBL3084077 0.84 CETP (0.43) CETPALDH1A1L3MBTL1PPARGPPARA
SCHEMBL27787119 0.83 CYP4F2 (0.49) PTGESALOX5
SCHEMBL3093099 0.78 CHRM2 (0.43) PTGESALDH1A1MAPT
SCHEMBL3079647 0.77 ALDH1A1 (0.48) ALDH1A1ALOX5
SCHEMBL3103221 0.77 CYP1A2 (0.45) PTGESALDH1A1PPARGPPARAALOX5
SCHEMBL27787093 0.76 BCHE (0.53) L3MBTL1PPARGPPARAALOX5
SCHEMBL3097030 0.76 SCN9A (0.40) FDFT1CETPALDH1A1MAPTPPARG
SCHEMBL3097023 0.76 SCN9A (0.40) FDFT1CETPALDH1A1MAPTPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN disclosed
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN disclosed