SCHEMBL18699191

SCHEMBL18699191

CCC(C)(C)c1cc(C(F)(F)F)c(C(=O)OC(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NR1H2 P55055 9/20 0.36
NR1H3 Q13133 7/20 0.36
RXRA P19793 7/20 0.36
GAA P10253 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ASPH Q12797 1/20 0.33
AR P10275 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL17808271 0.86 MAPT (0.40) MAPTJUNNFKB1NFKB2RELA
SCHEMBL16454401 0.80 JUN (0.43) MAPTJUNNFKB1NFKB2RELA
SCHEMBL17796812 0.78 MAPT (0.45) MAPTJUNNFKB1NFKB2RELA
SCHEMBL8559321 0.75 MAPT (0.43) MAPTJUNNFKB1NFKB2RELA
SCHEMBL28950798 0.73 NFKB1 (0.40) MAPTJUNNFKB1NFKB2RELA
SCHEMBL18699192 0.72 GABRA1 (0.36) GAANPSR1KDM4EARALDH1A1
SCHEMBL17816209 0.70 MAPT (0.39) MAPTGAANPSR1KDM4EMEN1
SCHEMBL16455673 0.69 POLB (0.47) MAPTJUNNFKB1NFKB2RELA
SCHEMBL13468557 0.69 KDM4E (0.56) MAPTJUNNFKB1NFKB2RELA
SCHEMBL16446943 0.68 JUN (0.35) MAPTJUNNFKB1NFKB2RELA

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
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed