SCHEMBL8143247

SCHEMBL8143247

O=C(O)CC1COc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
FFAR1 O14842 15/20 0.45
AKR1B1 P15121 2/20 0.44
PPARA Q07869 1/20 0.43

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
SCHEMBL8137807 0.86 CYP1A2 (0.43) AKR1B1
SCHEMBL8139674 0.86 L3MBTL1 (0.39) FFAR1AKR1B1
SCHEMBL10443939 0.79 LMNA (0.43)
SCHEMBL10444127 0.79 LMNA (0.43)
SCHEMBL28279575 0.79 PPARG (0.52) PPARGPPARDFFAR1PPARA
SCHEMBL6035025 0.78 HSP90AA1 (0.44) AKR1B1
SCHEMBL10443920 0.77 PPARG (0.50) PPARGPPARDFFAR1PPARA
SCHEMBL7432114 0.77 HTR1A (0.56) PPARGPPARDFFAR1PPARA
SCHEMBL6214519 0.77 FFAR1 (0.59) PPARGPPARDFFAR1PPARA
SCHEMBL27347334 0.77 FFAR1 (0.60) PPARGPPARDFFAR1

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-1019412-A1 BIPHENYL(THIO)AMIDE AND BIPHENYLETHAN(THI)ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT 1D? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-07-19 EP disclosed
WO-1997007120-A9 BIPHENYL(THIO)AMIDE AND BIPHENYLETHAN(THI)ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR ANTAGONISTS 1997-04-03 WO disclosed
WO-1997007120-A1 BIPHENYL(THIO)AMIDE AND BIPHENYLETHAN(THI)ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-27 WO disclosed
EP-0350163-A2 Renin inhibitory peptides BEECHAM GROUP PLC (GB) 1990-01-10 EP disclosed