SCHEMBL8925744

SCHEMBL8925744

COCOC(=O)/C=C/C(=O)OCOC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
ATM Q13315 1/20 0.46
MAPT P10636 5/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
LMNA P02545 1/20 0.31
MDM2 Q00987 1/20 0.31
GFPT1 Q06210 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
SCHEMBL10394952 1.00 HCAR2 (0.48) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL26367055 0.91 HCAR2 (0.61) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL10394955 0.91 HCAR2 (0.61) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL17305549 0.91 HCAR2 (0.40) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL15801602 0.91 HCAR2 (0.40) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL10394953 0.91 HCAR2 (0.61) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL5001830 0.87
SCHEMBL5001828 0.87
SCHEMBL5555666 0.82 HCAR2 (0.33) HCAR2KEAP1NFE2L2ATM
SCHEMBL4575905 0.81

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
JP-9255622-A None JP disclosed
JP-H09255622-A PRODUCTION OF WATER-SOLUBLE FUMARIC ACID DIESTER NOF CORP 1997-09-30 JP disclosed