SCHEMBL5597871

SCHEMBL5597871

CCOc1ncc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)o2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.54
NR1H2 P55055 3/20 0.54
NR1H3 Q13133 3/20 0.54
RET P07949 4/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GNRHR P30968 3/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
TP53 P04637 1/20 0.33
MAPK14 Q16539 3/20 0.33
CMA1 P23946 1/20 0.32
RIPK1 Q13546 1/20 0.32
F2RL3 Q96RI0 1/20 0.31

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
SCHEMBL2388362 0.93 RXRA (0.51) RXRANR1H2NR1H3RETKDM4E
SCHEMBL5793699 0.87 RXRA (0.60) RXRANR1H2NR1H3RETKDM4E
SCHEMBL5598435 0.86 RXRA (0.51) RXRANR1H2NR1H3RETKDM4E
SCHEMBL2391072 0.83 RXRA (0.48) RXRANR1H2NR1H3RETKDM4E
SCHEMBL2390410 0.82 RXRA (0.49) RXRANR1H2NR1H3RETKDM4E
SCHEMBL4907967 0.81 RXRA (0.58) RXRANR1H2NR1H3RETKDM4E
SCHEMBL2390155 0.81 RXRA (0.60) RXRANR1H2NR1H3KDM4EGLA
SCHEMBL2387269 0.81 RXRA (0.53) RXRANR1H2NR1H3RETKDM4E
SCHEMBL4907809 0.80 RXRA (0.53) RXRANR1H2NR1H3KDM4EGLA
SCHEMBL2387632 0.80 RXRA (0.59) RXRANR1H2NR1H3RETKDM4E

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