SCHEMBL7921361

SCHEMBL7921361

COC(=O)C(Cc1ccc(OCCNCc2nc3ccccc3o2)cc1)Cc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 17/20 0.46
▸ PPARA Q07869 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ PPARD Q03181 2/20 0.38

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
SCHEMBL2785848 0.92 PPARG (0.46) PPARGPPARA
SCHEMBL7920692 0.90 PPARG (0.50) PPARGPPARAPPARD
Trifluoroacetic Acid SCHEMBL7705739 0.89 PPARG (0.43) PPARGPPARA
SCHEMBL7926603 0.83 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL2786491 0.82 PPARG (0.53) PPARGPPARA
SCHEMBL7921358 0.82 PPARG (0.69) PPARGPPARA
SCHEMBL7923377 0.80 PPARG (0.49) PPARGPPARAPPARD
Trifluoroacetic Acid SCHEMBL7711566 0.79 PPARG (0.50) PPARGPPARA
SCHEMBL7922719 0.78 PPARG (0.48) PPARGPPARA
SCHEMBL7922696 0.77 PPARG (0.64) PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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