SCHEMBL6532807

SCHEMBL6532807

C/C(=N\OCc1ccc(F)cc1)C(Cc1ccc(OCc2cnn(-c3ccc(C)cc3)c2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.53
PPARA Q07869 16/20 0.53
ALKBH1 Q13686 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR34 Q9UPC5 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

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
SCHEMBL6532813 1.00 PPARG (0.53) PPARGPPARAALKBH1KDM4EMEN1
SCHEMBL6534150 0.96 PPARG (0.47) PPARGPPARA
SCHEMBL6534152 0.96 PPARG (0.47) PPARGPPARA
SCHEMBL6532606 0.93 PPARG (0.51) PPARGPPARAALKBH1KDM4EMEN1
SCHEMBL6534121 0.93 PPARG (0.51) PPARGPPARAALKBH1GPR34MME
SCHEMBL6534115 0.93 PPARG (0.51) PPARGPPARAALKBH1GPR34MME
SCHEMBL6532611 0.93 PPARG (0.51) PPARGPPARAALKBH1KDM4EMEN1
SCHEMBL6532442 0.93 PPARG (0.56) PPARGPPARAALKBH1KDM4EMEN1
SCHEMBL6532450 0.93 PPARG (0.56) PPARGPPARAALKBH1KDM4EMEN1
SCHEMBL6533743 0.93 PPARG (0.48) PPARGPPARA

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