SCHEMBL995866

SCHEMBL995866

CCCCOC(=O)NC(C)(C(=O)O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.50
PPARA Q07869 3/20 0.50
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 2/20 0.44
EPAS1 Q99814 2/20 0.44
FAAH O00519 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MDH1 P40925 1/20 0.43
MDH2 P40926 1/20 0.43
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAA1 Q13131 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43

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
SCHEMBL996065 0.90 MAPK1 (0.49) ALDH1A1MEN1KMT2AFAAHHRH3
SCHEMBL995315 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AFAAH
SCHEMBL16054123 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL995870 0.77 MEN1 (0.46) PPARDPPARAALDH1A1KDM4EMEN1
SCHEMBL995867 0.76 L3MBTL1 (0.47) PPARDPPARAALDH1A1KDM4EMEN1
SCHEMBL16054820 0.73 HRH2 (0.40) ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL16054684 0.73 ACHE (0.38) ALDH1A1MEN1KMT2A
SCHEMBL1000038 0.73 SMN1; SMN2 (0.49) ALDH1A1KMT2AHRH3SIGMAR1
SCHEMBL995978 0.72 TDP1 (0.41) ALDH1A1KDM4EKMT2A
SCHEMBL31153131 0.72 PPARA (0.87) PPARDPPARAALDH1A1KDM4EMEN1

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
EP-2448920-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS Galderma Research & Development (FR) 2012-05-09 EP disclosed
WO-2011001089-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-06 WO disclosed