SCHEMBL996323

SCHEMBL996323

CCCCOC(=O)NC(C)(C(=O)O)N1CCN(S(=O)(=O)CC(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
HPGD P15428 1/20 0.32
ACE P12821 2/20 0.32
ACE2 Q9BYF1 2/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 3/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
MMP13 P45452 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH2 P25021 1/20 0.31

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
SCHEMBL995978 0.85 TDP1 (0.41) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16054820 0.80 HRH2 (0.40) POLBL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL16054123 0.79 ALDH1A1 (0.36) POLBL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL16054684 0.77 ACHE (0.38) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1000038 0.77 SMN1; SMN2 (0.49) POLBNPC1RAB9ASMN1; SMN2THRB
SCHEMBL996327 0.74 ADAM17 (0.37) EPHX2L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL996324 0.73 EPHX2 (0.35) EPHX2POLBL3MBTL1NPSR1NPC1
SCHEMBL995315 0.70 ALDH1A1 (0.44) POLBNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL996065 0.69 MAPK1 (0.49) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL995866 0.68 PPARD (0.50) L3MBTL1KMT2AALDH1A1

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