SCHEMBL7920692

SCHEMBL7920692

COC(=O)C(Cc1ccccc1)Cc1ccc(OCCNCc2nc3ccccc3o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 15/20 0.50
▸ PPARA Q07869 3/20 0.45
▸ LTA4H P09960 2/20 0.44
▸ PPARD Q03181 2/20 0.43
▸ KMT2A Q03164 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
SCHEMBL2786491 0.91 PPARG (0.53) PPARGPPARA
SCHEMBL7921361 0.90 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL7926603 0.89 PPARG (0.50) PPARGPPARAPPARD
Trifluoroacetic Acid SCHEMBL7711566 0.88 PPARG (0.50) PPARGPPARA
SCHEMBL7923377 0.85 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL7922719 0.85 PPARG (0.48) PPARGPPARA
SCHEMBL4609088 0.83 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL2785848 0.83 PPARG (0.46) PPARGPPARA
SCHEMBL6383609 0.82 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL7168302 0.82 ITGB3 (0.59) PPARG

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
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
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