SCHEMBL5793699

SCHEMBL5793699

CCOc1ncc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)s2)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.60
NR1H2 P55055 4/20 0.60
NR1H3 Q13133 4/20 0.60
GNRHR P30968 3/20 0.34
RET P07949 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
TP53 P04637 1/20 0.33
EIF4EBP1 Q13541 3/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
MAPK14 Q16539 1/20 0.33
CMA1 P23946 1/20 0.32
PRF1 P14222 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
SCHEMBL2387632 0.93 RXRA (0.59) RXRANR1H2NR1H3GNRHRRET
SCHEMBL2390578 0.92 RXRA (0.60) RXRANR1H2NR1H3GNRHRRET
SCHEMBL2387871 0.91 RXRA (0.65) RXRANR1H2NR1H3GNRHRRET
SCHEMBL5598435 0.90 RXRA (0.51) RXRANR1H2NR1H3GNRHRRET
SCHEMBL2389400 0.90 RXRA (0.64) RXRANR1H2NR1H3GNRHRRET
SCHEMBL2389134 0.88 RXRA (0.62) RXRANR1H2NR1H3GNRHRRET
SCHEMBL5597871 0.87 RXRA (0.54) RXRANR1H2NR1H3GNRHRRET
SCHEMBL2389050 0.86 RXRA (0.66) RXRANR1H2NR1H3GNRHRRET
SCHEMBL5615072 0.84 RXRA (0.69) RXRANR1H2NR1H3GNRHRKDM4E
SCHEMBL2386448 0.84 RXRA (0.64) RXRANR1H2NR1H3GNRHRMAPK14

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-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed