SCHEMBL5597903

SCHEMBL5597903

Cc1ccc(Cn2c(-c3ccc(Oc4cccc(OCC(=O)O)c4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.59
NR1H2 P55055 3/20 0.59
NR1H3 Q13133 3/20 0.59
AR P10275 2/20 0.37
MAPT P10636 5/20 0.35
POLB P06746 2/20 0.35
POLQ O75417 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CNR1 P21554 1/20 0.35
GPR183 P32249 1/20 0.35
CNR2 P34972 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HPGD P15428 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
PPARD Q03181 1/20 0.34
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5598133 0.94 RXRA (0.59) RXRANR1H2NR1H3ARMAPT
SCHEMBL4908276 0.92 RXRA (0.53) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL4897271 0.91 RXRA (0.54) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL2388618 0.90 NR1H2 (0.56) RXRANR1H2NR1H3ARMAPT
SCHEMBL4907007 0.90 RXRA (0.49) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL2263662 0.90 RXRA (0.62) RXRANR1H2NR1H3ARMAPT
SCHEMBL2263683 0.90 NR1H2 (0.65) RXRANR1H2NR1H3ARMAPT
SCHEMBL2263549 0.89 RXRA (0.62) RXRANR1H2NR1H3ARMAPT
SCHEMBL12390393 0.89 NR1H2 (0.59) RXRANR1H2NR1H3ARMAPT
SCHEMBL2263493 0.89 NR1H2 (0.62) RXRANR1H2NR1H3ARMAPT

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