SCHEMBL5615380

SCHEMBL5615380

CCOc1ccc(-c2cccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)c2)cc1NC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.58
NR1H2 P55055 3/20 0.58
NR1H3 Q13133 3/20 0.58
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RET P07949 9/20 0.39
PTGER2 P43116 1/20 0.38
MAPK14 Q16539 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PDE10A Q9Y233 2/20 0.36

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
SCHEMBL2389451 0.92 RXRA (0.54) RXRANR1H2NR1H3KDM4EHSD17B10
SCHEMBL2390284 0.87 NR1H2 (0.61) RXRANR1H2NR1H3RETMAPK14
SCHEMBL2391504 0.86 RXRA (0.61) RXRANR1H2NR1H3KDM4ERET
SCHEMBL2390432 0.86 RXRA (0.61) RXRANR1H2NR1H3RETPTGER2
SCHEMBL4906136 0.85 RXRA (0.56) RXRANR1H2NR1H3RETPTGER2
SCHEMBL5793484 0.85 RXRA (0.70) RXRANR1H2NR1H3MAPK14TP53
SCHEMBL2390285 0.84 RXRA (0.58) RXRANR1H2NR1H3RETMAPK14
SCHEMBL5610648 0.83 RXRA (0.53) RXRANR1H2NR1H3KDM4EHSD17B10
SCHEMBL4904847 0.82 RXRA (0.66) RXRANR1H2NR1H3KDM4EMAPK14
SCHEMBL14214340 0.82 RXRA (0.75) RXRANR1H2NR1H3KDM4EMAPK14

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
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed