SCHEMBL996065

SCHEMBL996065

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
CACNA1G O43497 2/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
FAAH O00519 1/20 0.41
S1PR5 Q9H228 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL995315 0.91 ALDH1A1 (0.44) MAPK1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL995866 0.90 PPARD (0.50) ALDH1A1MEN1KMT2AFAAHHRH3
SCHEMBL16054123 0.81 ALDH1A1 (0.36) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL996068 0.75 MAPK1 (0.51) MAPK1CACNA1GMMP1MMP9MMP13
SCHEMBL1000038 0.74 SMN1; SMN2 (0.49) MAPK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL16054684 0.74 ACHE (0.38) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL995978 0.74 TDP1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL996067 0.73 MAPK1 (0.49) MAPK1CACNA1GMMP1MMP9MMP13
SCHEMBL16054820 0.73 HRH2 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL996323 0.69 EPHX2 (0.34) MMP13ALDH1A1MAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968314-A2 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS Galderma Research & Development (FR) 2016-01-20 EP disclosed
WO-2014140861-A2 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-09-18 WO disclosed
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