SCHEMBL14944243

SCHEMBL14944243

CCc1cc(Cl)ccc1Cn1c(-c2ccccc2)cc(C(F)(F)F)c(CNC(=O)c2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
EPHX2 P34913 2/20 0.44
DDR1 Q08345 16/20 0.43

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
SCHEMBL2262250 0.85 EPHX2 (0.48) PPARGEPHX2
SCHEMBL14944178 0.84 EPHX2 (0.44) PPARGEPHX2
SCHEMBL2266394 0.77 MTNR1A (0.43) PPARGEPHX2
SCHEMBL2263299 0.76 CNR1 (0.42) PPARGEPHX2
SCHEMBL12390431 0.76 NPC1 (0.42) PPARG
SCHEMBL2263399 0.76 PPARG (0.41) PPARGEPHX2
SCHEMBL2263963 0.75 L3MBTL1 (0.43) PPARGEPHX2
SCHEMBL2263570 0.74 TP53 (0.43) PPARGEPHX2
SCHEMBL12390365 0.74 TP53 (0.40)
SCHEMBL2266775 0.73 ALDH1A1 (0.44) PPARGEPHX2

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-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed