SCHEMBL3842218

SCHEMBL3842218

CCCC(C)(Oc1ccc(COc2nn(C)c(=O)n(CCCC(F)(F)F)c2=O)cc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.36
PPARG P37231 13/20 0.36
PPARD Q03181 9/20 0.36
SLC6A5 Q9Y345 1/20 0.33
ALOX5AP P20292 1/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3842663 0.91 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL3848677 0.91 PPARG (0.41) PPARAPPARGPPARD
SCHEMBL3849916 0.90 PPARA (0.41) PPARAPPARGPPARDALOX5APKDM4E
SCHEMBL3841939 0.89 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL3286106 0.84 PPARA (0.41) PPARAPPARGPPARDALDH1A1CYP3A4
SCHEMBL3869431 0.83 PPARA (0.41) PPARAPPARGPPARDALDH1A1
SCHEMBL3848566 0.83 PPARA (0.39) PPARAPPARGPPARDALDH1A1
SCHEMBL3845812 0.82 PPARA (0.45) PPARAPPARGPPARDALDH1A1
SCHEMBL3845856 0.82 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL3841403 0.82 PPARA (0.43) PPARAPPARGPPARD

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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed