SCHEMBL8308822

SCHEMBL8308822

CC(OCC(=O)O)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.44
CYP3A4 P08684 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTR3A P46098 1/20 0.42
CNR2 P34972 1/20 0.42
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GAA P10253 1/20 0.40
FFAR1 O14842 3/20 0.39
ALOX15 P16050 1/20 0.39
IGLV6-57 P01721 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EEF2K O00418 1/20 0.38

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
SCHEMBL29694301 0.80 KMT2A (0.46) GLAL3MBTL1ALOX15MEN1KMT2A
SCHEMBL22945646 0.80 KMT2A (0.46) GLAL3MBTL1ALOX15MEN1KMT2A
SCHEMBL24488931 0.80 KMT2A (0.46) GLAL3MBTL1ALOX15MEN1KMT2A
SCHEMBL16672851 0.77 FFAR1 (0.49) GLAL3MBTL1FFAR1ALOX15KMT2A
SCHEMBL27541725 0.74 KMT2A (0.42) HIF1ACYP3A4CHRNB2CHRNB4CHRNA3
SCHEMBL27854073 0.74 MEN1 (0.49) HIF1ACYP3A4CHRNB2CHRNB4CHRNA3
SCHEMBL6443530 0.74 EEF2K (0.50) HIF1ACYP3A4CNR2CES2CES1
SCHEMBL27884849 0.73 CHRNB2 (0.45) HIF1ACYP3A4CHRNB2CHRNB4CHRNA3
SCHEMBL1533096 0.72 ALDH1A1 (0.42) CYP3A4GAAFFAR1
SCHEMBL515081 0.72 CHRNB2 (0.47) HIF1ACYP3A4CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906310-A4 OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE -g(b) 3? AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO INC (US) 1999-09-01 EP disclosed
EP-0906310-A1 OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE $g(b) 3? AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY Merck & Co., Inc. (US) 1999-04-07 EP disclosed
WO-1997046556-A1 OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 1997-12-11 WO disclosed