SCHEMBL6533237

SCHEMBL6533237

COC(=O)C(Cc1ccc(OCc2cnn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc1)C(C)=NOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 6/20 0.44
GPR34 Q9UPC5 1/20 0.41
PPARG P37231 6/20 0.40
PPARA Q07869 5/20 0.40
LTA4H P09960 1/20 0.40
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
CPA1 P15085 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
PPARD Q03181 1/20 0.38
MAOB P27338 1/20 0.38
ATM Q13315 1/20 0.37
GPR132 Q9UNW8 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6532098 0.87 LTA4H (0.43) YAP1PPARGPPARALTA4HMME
SCHEMBL6532104 0.87 LTA4H (0.43) YAP1PPARGPPARALTA4HMME
SCHEMBL6532379 0.87 LTA4H (0.43) YAP1PPARGPPARALTA4HPPARD
SCHEMBL6532687 0.87 LTA4H (0.43) PPARGPPARALTA4HMMEACE
SCHEMBL6532682 0.87 LTA4H (0.43) PPARGPPARALTA4HMMEACE
SCHEMBL6532376 0.87 LTA4H (0.43) YAP1PPARGPPARALTA4HPPARD
SCHEMBL6533828 0.86 LTA4H (0.42) GPR34PPARGPPARALTA4HPPARD
SCHEMBL6533823 0.86 LTA4H (0.42) GPR34PPARGPPARALTA4HPPARD
SCHEMBL6533887 0.83 PPARG (0.39) PPARGPPARALTA4HPPARDMAOB
SCHEMBL6533884 0.83 PPARG (0.39) PPARGPPARALTA4HPPARDMAOB

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 1 patent. 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 disclosed