SCHEMBL4644080

SCHEMBL4644080

COC(=O)C=CC(=O)OCCC(=O)OC(=O)CBr

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GFPT1 Q06210 1/20 0.31
TSHR P16473 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
SCHEMBL4644067 1.00 HCAR2 (0.43) HCAR2KEAP1NFE2L2ATMALDH1A1
SCHEMBL4644239 1.00 HCAR2 (0.43) HCAR2KEAP1NFE2L2ATMALDH1A1
SCHEMBL4643643 0.87 HCAR2 (0.47) HCAR2ATMALDH1A1TRPA1CYP2C19
SCHEMBL4643654 0.87 HCAR2 (0.47) HCAR2ATMALDH1A1TRPA1CYP2C19
SCHEMBL4646359 0.87 HCAR2 (0.47) HCAR2ATMALDH1A1TRPA1CYP2C19
SCHEMBL4641595 0.83 HCAR2 (0.46) HCAR2KEAP1NFE2L2ATMALDH1A1
SCHEMBL4645194 0.83 HCAR2 (0.46) HCAR2KEAP1NFE2L2ATMALDH1A1
SCHEMBL4641610 0.83 HCAR2 (0.46) HCAR2KEAP1NFE2L2ATMALDH1A1
SCHEMBL4641325 0.81 HCAR2 (0.41) HCAR2KEAP1NFE2L2ATMALDH1A1
SCHEMBL4641316 0.81 HCAR2 (0.41) HCAR2KEAP1NFE2L2ATMALDH1A1

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