SCHEMBL18174423

SCHEMBL18174423

COC(=O)/C=C\n1nnn(CCCn2nnn(/C=C/C(=O)O)c2=O)c1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.60
HCAR2 Q8TDS4 2/20 0.40
TNF P01375 1/20 0.33
KEAP1 Q14145 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL18593556 0.96 NFE2L2 (0.58) NFE2L2HCAR2TNFKEAP1ALDH1A1
SCHEMBL18174426 0.96 NFE2L2 (0.58) NFE2L2HCAR2TNFKEAP1ALDH1A1
SCHEMBL18174422 0.94 NFE2L2 (0.67) NFE2L2HCAR2TNFKEAP1KDM4E
SCHEMBL18174424 0.94 NFE2L2 (0.67) NFE2L2HCAR2TNFKEAP1KDM4E
SCHEMBL18174425 0.90 NFE2L2 (0.65) NFE2L2HCAR2TNFKEAP1
SCHEMBL18174428 0.90 NFE2L2 (0.65) NFE2L2HCAR2TNFKEAP1
SCHEMBL18593554 0.89 NFE2L2 (0.60) NFE2L2HCAR2TNFKEAP1
SCHEMBL18174454 0.85 NFE2L2 (0.58) NFE2L2HCAR2TNFKEAP1
SCHEMBL18174459 0.85 NFE2L2 (0.58) NFE2L2HCAR2TNFKEAP1
SCHEMBL18174419 0.84 NFE2L2 (0.65) NFE2L2HCAR2TNFKEAP1ALDH1A1

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-9475781-B2 Fumarate analogs and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-10-25 US disclosed