SCHEMBL8491271

SCHEMBL8491271

CC(=O)Oc1ccc(CC(C)(C)[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ELANE P08246 3/20 0.42
HSD17B10 Q99714 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
GAA P10253 2/20 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
SCHEMBL8491267 0.85 ALDH1A1 (0.42) MAPTPOLBPKMALDH1A1L3MBTL1
SCHEMBL12802351 0.80 ALDH1A1 (0.55) MAPTPKMALDH1A1L3MBTL1
SCHEMBL12556696 0.80 LMNA (0.53) MAPTPOLBPKMLMNAALDH1A1
SCHEMBL5830639 0.78 ESR1 (0.46) ALDH1A1L3MBTL1ELANEESR1
SCHEMBL5733364 0.77 LMNA (0.50) MAPTPOLBPKMLMNAALDH1A1
SCHEMBL6428739 0.77 LMNA (0.50) MAPTPOLBPKMLMNAALDH1A1
SCHEMBL5830105 0.76 ESR1 (0.55) ALDH1A1ESR1
SCHEMBL5830171 0.76 ESR1 (0.43) ALDH1A1L3MBTL1ELANEESR1
SCHEMBL14763892 0.75 NPC1 (0.47) MAPTPOLBLMNAALDH1A1L3MBTL1
SCHEMBL6554130 0.75 POLB (0.66) MAPTPOLBPKMLMNAELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999029673-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1999-06-17 WO disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed