SCHEMBL4646895

SCHEMBL4646895

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MAPT P10636 6/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.32
GAA P10253 1/20 0.32
GFPT1 Q06210 1/20 0.32
ALDH1A1 P00352 4/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4641951 1.00 HCAR2 (0.45) HCAR2KEAP1NFE2L2MAPTPOLB
SCHEMBL4641960 1.00 HCAR2 (0.45) HCAR2KEAP1NFE2L2MAPTPOLB
SCHEMBL4645160 0.86 HCAR2 (0.48) HCAR2MAPTATMALDH1A1LMNA
SCHEMBL4643222 0.86 HCAR2 (0.48) HCAR2MAPTATMALDH1A1LMNA
SCHEMBL4643228 0.86 HCAR2 (0.48) HCAR2MAPTATMALDH1A1LMNA
SCHEMBL4643877 0.83 HCAR2 (0.42) HCAR2KEAP1NFE2L2MAPTATM
SCHEMBL4643889 0.83 HCAR2 (0.42) HCAR2KEAP1NFE2L2MAPTATM
SCHEMBL4646200 0.83 HCAR2 (0.42) HCAR2KEAP1NFE2L2MAPTATM
SCHEMBL4642284 0.81 HCAR2 (0.43) HCAR2KEAP1NFE2L2MAPTPOLB
SCHEMBL4643722 0.81 HCAR2 (0.43) HCAR2KEAP1NFE2L2MAPTPOLB

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 3 patents. 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
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed