SCHEMBL1000039

SCHEMBL1000039

CCCCOC(=O)NOC(=O)C(C)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
LMNA P02545 4/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 4/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
THRB P10828 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL16054685 0.84 SIGMAR1 (0.38) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL16054124 0.84 KDM4E (0.39) SMN1; SMN2LMNAPOLBMAPTRAB9A
SCHEMBL16054933 0.82 HRH2 (0.41) SMN1; SMN2LMNAPOLBMAPTRAB9A
SCHEMBL995979 0.81 TDP1 (0.41) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL996324 0.78 EPHX2 (0.35) SMN1; SMN2LMNAPOLBMAPTRAB9A
SCHEMBL995317 0.75 ALDH1A1 (0.44) LMNARAB9ANPC1ALDH1A1KMT2A
SCHEMBL996067 0.74 MAPK1 (0.49) SMN1; SMN2LMNAPOLBMAPTRAB9A
SCHEMBL11598616 0.73 ALDH1A1 (0.47) SMN1; SMN2LMNAPOLBMAPTRAB9A
SCHEMBL1000040 0.73 SMN1; SMN2 (0.50) SMN1; SMN2LMNAPOLBMAPTRAB9A
SCHEMBL995867 0.72 L3MBTL1 (0.47) ALDH1A1KMT2AL3MBTL1HRH3

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-2477969-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES Galderma Research & Development (FR) 2012-07-25 EP disclosed
EP-2448931-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-2011033010-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed
WO-2011001088-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