SCHEMBL4647644

SCHEMBL4647644

COC(=O)/C=C/C(=O)OC(C(=O)OC(C)=O)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
SLC6A3 Q01959 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4641781 1.00 HCAR2 (0.38) HCAR2KEAP1NFE2L2TP53THRB
SCHEMBL4645230 0.86 HCAR2 (0.40) HCAR2THRBALDH1A1NPSR1
SCHEMBL4646033 0.86 HCAR2 (0.40) HCAR2THRBALDH1A1NPSR1
SCHEMBL4641794 0.77 HCAR2 (0.36) HCAR2KEAP1NFE2L2
SCHEMBL7041364 0.73 EPHX2 (0.35) HCAR2TP53SLC6A3ALDH1A1NPSR1
SCHEMBL4645189 0.71 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL4641592 0.71 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL7041362 0.70 HCAR2 (0.41) HCAR2TP53SLC6A3NPSR1
SCHEMBL4641605 0.69 HCAR2 (0.43) HCAR2KEAP1NFE2L2TP53ALDH1A1
SCHEMBL4642281 0.69 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1

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