SCHEMBL6579224

SCHEMBL6579224

COC(=O)C(Cc1ccccc1)OC(N)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50
PPARD Q03181 2/20 0.47
SLC6A3 Q01959 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
ANPEP P15144 1/20 0.43
LTA4H P09960 1/20 0.43
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
UTS2R Q9UKP6 1/20 0.41

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
SCHEMBL18358415 0.74 SLC6A3 (0.50) PPARGPPARAPPARDSLC6A3CYP3A4
SCHEMBL6579235 0.74 PPARG (0.51) PPARGPPARAPPARDPTPN1
SCHEMBL15446189 0.74 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL15446173 0.74 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL6579229 0.73 PPARG (0.50) PPARGPPARAPPARDPTPN1ALDH1A1
Hydrochloric Acid SCHEMBL27233083 0.73 SLC6A3 (0.49) PPARGPPARAPPARDSLC6A3CYP3A4
SCHEMBL7150900 0.72 SRR (0.56) PPARGPPARAPPARDPTPN1ALDH1A1
SCHEMBL31170906 0.72 SLC6A3 (0.48) PPARGPPARAPPARDSLC6A3CYP2D6
SCHEMBL5829437 0.72 SLC6A3 (0.48) PPARGPPARAPPARDSLC6A3CYP2D6
SCHEMBL29163290 0.71 PPARG (0.65) PPARGPPARAPTPN1

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
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 WO disclosed