SCHEMBL5598435

SCHEMBL5598435

CCOc1ncc(-c2csc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)c2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.51
NR1H2 P55055 3/20 0.51
NR1H3 Q13133 3/20 0.51
GNRHR P30968 2/20 0.34
EIF4EBP1 Q13541 13/20 0.34
RET P07949 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL4910523 0.93 RXRA (0.50) RXRANR1H2NR1H3GNRHRRET
SCHEMBL2387170 0.92 RXRA (0.49) RXRANR1H2NR1H3GNRHRRET
SCHEMBL2385180 0.91 RXRA (0.54) RXRANR1H2NR1H3GNRHRRET
SCHEMBL5793699 0.90 RXRA (0.60) RXRANR1H2NR1H3GNRHREIF4EBP1
SCHEMBL2387124 0.90 RXRA (0.52) RXRANR1H2NR1H3GNRHRRET
SCHEMBL2389076 0.89 RXRA (0.51) RXRANR1H2NR1H3GNRHRRET
SCHEMBL5597871 0.86 RXRA (0.54) RXRANR1H2NR1H3GNRHRRET
SCHEMBL2386392 0.85 RXRA (0.55) RXRANR1H2NR1H3GNRHRRET
SCHEMBL2388477 0.83 RXRA (0.56) RXRANR1H2NR1H3GNRHREIF4EBP1
SCHEMBL2391198 0.83 RXRA (0.49) RXRANR1H2NR1H3GNRHREIF4EBP1

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 3 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-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed