SCHEMBL14944221

SCHEMBL14944221

N#Cc1c(C(F)(F)F)cc(-c2cccc(Oc3ccccc3)c2)n(Cc2ccccc2)c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.63
NR1H3 Q13133 3/20 0.63
RXRA P19793 2/20 0.63
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 4/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
GLA P06280 3/20 0.43
GAA P10253 3/20 0.43
AR P10275 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CNR1 P21554 1/20 0.40
GPR183 P32249 1/20 0.40
CNR2 P34972 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
SCHEMBL2264824 0.92 RXRA (0.71) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL14944242 0.92 RXRA (0.74) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2263553 0.91 RXRA (0.55) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2260085 0.91 RXRA (0.55) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2266370 0.90 NR1H2 (0.54) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2263764 0.89 RXRA (0.61) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL14944153 0.89 RXRA (0.66) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2261157 0.88 RXRA (0.52) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2262221 0.88 RXRA (0.59) NR1H2NR1H3RXRAKDM4EALDH1A1
SCHEMBL2266432 0.88 RXRA (0.54) NR1H2NR1H3RXRAKDM4EALDH1A1

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