SCHEMBL5598462

SCHEMBL5598462

COC(=O)Cc1ccc(-c2cccc(Sc3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)c2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.48
NR1H2 P55055 4/20 0.48
NR1H3 Q13133 4/20 0.48
P2RX7 Q99572 1/20 0.34
RXFP1 Q9HBX9 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GNRHR P30968 1/20 0.33
MAPK14 Q16539 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 2/20 0.32
NR1I2 O75469 1/20 0.32
NR3C1 P04150 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNK3 O14649 3/20 0.32
MCHR1 Q99705 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
SCHEMBL2390424 0.88 RXRA (0.59) RXRANR1H2NR1H3P2RX7RXFP1
SCHEMBL2387026 0.82 RXRA (0.54) RXRANR1H2NR1H3RXFP1MAPT
SCHEMBL2385109 0.81 RXRA (0.64) RXRANR1H2NR1H3RXFP1MAPT
SCHEMBL2388642 0.81 RXRA (0.53) RXRANR1H2NR1H3RXFP1MAPT
SCHEMBL2389916 0.78 RXRA (0.63) RXRANR1H2NR1H3P2RX7MAPT
SCHEMBL2388561 0.75 RXRA (0.57) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2387442 0.74 RXRA (0.69) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2386473 0.73 RXRA (0.53) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2389616 0.73 RXRA (0.53) RXRANR1H2NR1H3RXFP1MAPT
SCHEMBL3901273 0.73 RXRA (0.68) RXRANR1H2NR1H3RXFP1MAPT

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 claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed