SCHEMBL7922696

SCHEMBL7922696

COC(=O)CCc1ccc(OCCNCc2nc3ccccc3o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.64
▸ LTA4H P09960 2/20 0.50
▸ VDR P11473 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ XDH P47989 1/20 0.43
▸ PPARD Q03181 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ DRD4 P21917 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
SCHEMBL9005930 0.87 ALDH1A1 (0.50) PPARGALDH1A1TP53DRD4
SCHEMBL9005904 0.82 DRD4 (0.46) PPARGRAB9ATP53DRD4
SCHEMBL7926603 0.82 PPARG (0.50) PPARGPPARD
SCHEMBL7920692 0.82 PPARG (0.50) PPARGLTA4HPPARD
SCHEMBL9005955 0.81 ALOX5 (0.47) PPARGLTA4HTP53DRD4
SCHEMBL7920667 0.80 PPARG (0.42) PPARGLTA4HALDH1A1RAB9ADRD4
SCHEMBL2786491 0.80 PPARG (0.53) PPARGDRD4
SCHEMBL9160316 0.79 PPARG (0.42) PPARGTP53DRD4
SCHEMBL7922719 0.79 PPARG (0.48) PPARGDRD4
SCHEMBL4744464 0.79 ATP4A (0.45) RAB9ATP53DRD4

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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