SCHEMBL4643722

SCHEMBL4643722

COC(=O)/C=C\C(=O)OCC(=O)OC(=O)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
GAA P10253 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 4/20 0.32
POLB P06746 2/20 0.32
ATM Q13315 1/20 0.32
GFPT1 Q06210 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TYR P14679 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4642284 1.00 HCAR2 (0.43) HCAR2KEAP1NFE2L2GAAALDH1A1
SCHEMBL4642298 1.00 HCAR2 (0.43) HCAR2KEAP1NFE2L2GAAALDH1A1
SCHEMBL4642374 0.87 HCAR2 (0.47) HCAR2ALDH1A1LMNAMAPTATM
SCHEMBL4644274 0.87 HCAR2 (0.47) HCAR2ALDH1A1LMNAMAPTATM
SCHEMBL4642386 0.87 HCAR2 (0.47) HCAR2ALDH1A1LMNAMAPTATM
SCHEMBL4641316 0.84 HCAR2 (0.41) HCAR2KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL4641325 0.84 HCAR2 (0.41) HCAR2KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL4641725 0.84 HCAR2 (0.41) HCAR2KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL4641951 0.81 HCAR2 (0.45) HCAR2KEAP1NFE2L2GAAALDH1A1
SCHEMBL4646895 0.81 HCAR2 (0.45) HCAR2KEAP1NFE2L2GAAALDH1A1

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
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed