SCHEMBL6532713

SCHEMBL6532713

C/C(=N\OCc1ccccc1)C(Cc1ccc(OCc2cnn(-c3ccc(CC(C)C)cc3)c2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.46
PPARA Q07869 14/20 0.46
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
MAOB P27338 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
SCHEMBL6532720 1.00 PPARG (0.46) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL6532682 0.93 LTA4H (0.43) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL6532687 0.93 LTA4H (0.43) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL6532611 0.93 PPARG (0.51) PPARGPPARAMMEACECPA1
SCHEMBL6532606 0.93 PPARG (0.51) PPARGPPARAMMEACECPA1
SCHEMBL6533022 0.93 PPARG (0.46) PPARGPPARASMN1; SMN2MAOB
SCHEMBL6533027 0.93 PPARG (0.46) PPARGPPARASMN1; SMN2MAOB
SCHEMBL6533743 0.93 PPARG (0.48) PPARGPPARA
SCHEMBL6533745 0.93 PPARG (0.48) PPARGPPARA
SCHEMBL6533728 0.92 PPARG (0.47) PPARGPPARASMN1; SMN2MAOB

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
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO claimed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed