SCHEMBL6533602

SCHEMBL6533602

CC(=NOCc1ccc(F)cc1F)C(Cc1ccc(OCc2cnn(-c3ccc(CC(C)C)cc3)c2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
PPARG P37231 15/20 0.43
PPARA Q07869 15/20 0.43
ALKBH1 Q13686 1/20 0.43
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6533595 1.00 MME (0.44) MMEACECPA1ACE2PPARG
SCHEMBL6532241 0.93 MME (0.41) MMEACECPA1ACE2PPARG
SCHEMBL6532248 0.93 MME (0.41) MMEACECPA1ACE2PPARG
SCHEMBL6532611 0.90 PPARG (0.51) MMEACECPA1ACE2PPARG
SCHEMBL6532606 0.90 PPARG (0.51) MMEACECPA1ACE2PPARG
SCHEMBL6532720 0.85 PPARG (0.46) MMEACECPA1ACE2PPARG
SCHEMBL6532713 0.85 PPARG (0.46) MMEACECPA1ACE2PPARG
SCHEMBL6532813 0.84 PPARG (0.53) MMEACECPA1ACE2PPARG
SCHEMBL6534115 0.84 PPARG (0.51) MMEACECPA1ACE2PPARG
SCHEMBL6532807 0.84 PPARG (0.53) MMEACECPA1ACE2PPARG

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