SCHEMBL7922719

SCHEMBL7922719

N[C@@H](Cc1ccc(OCCNCc2nc3ccccc3o2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 16/20 0.48
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ PPARA Q07869 2/20 0.46
▸ DRD4 P21917 1/20 0.43
▸ PTPRA P18433 1/20 0.42
▸ PTPRB P23467 1/20 0.42

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
SCHEMBL7926603 0.90 PPARG (0.50) PPARGPPARA
SCHEMBL2786491 0.89 PPARG (0.53) PPARGPPARADRD4
Trifluoroacetic Acid SCHEMBL7711566 0.86 PPARG (0.50) PPARGPPARA
SCHEMBL4609088 0.85 PPARG (0.65) PPARGPPARA
SCHEMBL7920692 0.85 PPARG (0.50) PPARGPPARA
SCHEMBL377531 0.83 PPARG (0.66) PPARGPPARA
SCHEMBL2785848 0.83 PPARG (0.46) PPARGPPARADRD4
SCHEMBL377363 0.83 PPARG (0.66) PPARGPPARA
SCHEMBL9160316 0.82 PPARG (0.42) PPARGPPARADRD4
SCHEMBL7168299 0.82 ITGB3 (0.59) PPARGITGB3ITGA2B

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
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
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 — — EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 — — WO disclosed
Send feedback