SCHEMBL1000038

SCHEMBL1000038

CCCCOC(=O)NC(C)(C(=O)O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 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
TSHR P16473 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 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
SCHEMBL16054684 0.84 ACHE (0.38) SMN1; SMN2POLBMAPTNPC1RAB9A
SCHEMBL16054123 0.84 ALDH1A1 (0.36) SMN1; SMN2LMNAPOLBMAPTNPC1
SCHEMBL995978 0.81 TDP1 (0.41) SMN1; SMN2LMNAPOLBMAPTNPC1
SCHEMBL16054820 0.80 HRH2 (0.40) SMN1; SMN2LMNAPOLBMAPTNPC1
SCHEMBL996323 0.77 EPHX2 (0.34) SMN1; SMN2POLBMAPTNPC1RAB9A
SCHEMBL995315 0.75 ALDH1A1 (0.44) SMN1; SMN2LMNAPOLBNPC1RAB9A
SCHEMBL996065 0.74 MAPK1 (0.49) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL995866 0.73 PPARD (0.50) ALDH1A1KMT2ASIGMAR1HRH3
SCHEMBL2487393 0.72 EPHX1 (0.47) POLBALDH1A1EPHX1
SCHEMBL2486965 0.70 EPHX1 (0.46) POLBALDH1A1TSHREPHX1

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