SCHEMBL2807642

SCHEMBL2807642

COC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2ccc(N(C)C)cc2)cc1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.81
PPARD Q03181 1/20 0.64
PPARA Q07869 1/20 0.64

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
SCHEMBL2807645 1.00 PPARG (0.81) PPARGPPARDPPARA
SCHEMBL7926272 0.92 PPARG (0.69) PPARGPPARDPPARA
SCHEMBL7926268 0.92 PPARG (0.69) PPARGPPARDPPARA
SCHEMBL2786222 0.90 PPARG (1.00) PPARGPPARA
SCHEMBL2811592 0.88 PPARG (0.79) PPARGPPARDPPARA
SCHEMBL2811590 0.88 PPARG (0.79) PPARGPPARDPPARA
SCHEMBL2809497 0.87 PPARG (0.81) PPARGPPARDPPARA
SCHEMBL2809500 0.87 PPARG (0.81) PPARGPPARDPPARA
SCHEMBL7708720 0.83 PPARG (0.74) PPARGPPARDPPARA
SCHEMBL7914468 0.80 PPARG (0.67) PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3255930-B2 2002-02-12 JP claimed
JP-2000507216-A 2000-06-13 JP claimed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP claimed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 WO claimed
US-20110300129-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2011-12-08 US disclosed
WO-2010075037-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2010-07-01 WO disclosed
US-6294580-B1 FOR THERAPY AND PROPHYLAXIS OF TYPE II OR NON-INSULIN DEPENDENT DIABETES MELLITUS, HYPERGLYCAEMIA, DYSLIPIDEMIA, TYPE II DIABETES, TYPE I DIABETES, HYPERTRIGLYCERIDEMIA, SYNDROME X, INSULIN RESISTANCE, HEART FAILURE GLAXO WELLCOME INC. 2001-09-25 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed