SCHEMBL7708319

SCHEMBL7708319

O=C(C1=C(N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)ON(C2CCCCC2)C2CCCCC2)CCCC1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.72
▸ YAP1 P46937 2/20 0.42
▸ ACE P12821 2/20 0.42
▸ PTPN1 P18031 4/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ PTPN2 P17706 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40

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
SCHEMBL9994772 0.84 PPARG (1.00) PPARGACE
SCHEMBL9994771 0.84 PPARG (1.00) PPARGACE
SCHEMBL7708314 0.84 PPARG (0.84) PPARG
SCHEMBL7708321 0.84 PPARG (0.84) PPARG
SCHEMBL7711543 0.80 PPARG (0.71) PPARGYAP1
SCHEMBL8458245 0.76 PPARG (0.65) PPARGYAP1
SCHEMBL8458250 0.76 PPARG (0.65) PPARGYAP1
SCHEMBL9647497 0.73 HDAC8 (0.51) —
SCHEMBL7923239 0.68 PPARG (0.56) PPARGYAP1
SCHEMBL7424224 0.68 ITGB3 (0.51) —

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-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
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