SCHEMBL1000040

SCHEMBL1000040

CCCCOC(=O)NCC(C(=O)O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 4/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 2/20 0.41
ACHE P22303 7/20 0.40
KMT2A Q03164 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL16054686 0.86 SIGMAR1 (0.43) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL16054126 0.85 NPC1 (0.41) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL995981 0.81 ADAM17 (0.43) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL16054821 0.81 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL996327 0.78 ADAM17 (0.37) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL996282 0.77 MEN1 (0.42) SMN1; SMN2KMT2AALDH1A1GAAHSD17B10
SCHEMBL996283 0.77 MEN1 (0.42) SMN1; SMN2KMT2AALDH1A1GAAHSD17B10
SCHEMBL995318 0.76 MEN1 (0.45) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL996068 0.75 MAPK1 (0.51) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL9152732 0.74 HSD17B10 (0.48) SMN1; SMN2RAB9AMAPTLMNAPOLB

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