SCHEMBL5793441

SCHEMBL5793441

CCNC(=O)c1cccc(-c2ccccc2)c1-c1cc(C(F)(F)F)c(C#N)c(=O)n1Cc1ccc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCR2 P41597 1/20 0.34
PPARG P37231 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
ITGB7 P26010 2/20 0.34
TNKS O95271 2/20 0.34
TNKS2 Q9H2K2 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
S1PR1 P21453 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
SCHEMBL5796476 0.90 RXRA (0.44) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL5792823 0.88 RXRA (0.43) RXRANR1H2NR1H3TDP1KDM4E
SCHEMBL5597884 0.88 RXRA (0.57) RXRANR1H2NR1H3PPARGALDH1A1
SCHEMBL4901910 0.83 RXRA (0.43) RXRANR1H2NR1H3CCR2
SCHEMBL4899271 0.82 NR1H2 (0.44) RXRANR1H2NR1H3CCR2PPARG
SCHEMBL2263811 0.81 NR1H2 (0.59) RXRANR1H2NR1H3TDP1PPARG
SCHEMBL5615711 0.81 RXRA (0.44) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4904313 0.79 RXRA (0.42) RXRANR1H2NR1H3CCR2KDM4E
SCHEMBL2264167 0.79 NR1H2 (0.51) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL5615714 0.78 RXRA (0.43) RXRANR1H2NR1H3

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