SCHEMBL4644072

SCHEMBL4644072

COC(=O)C=CC(=O)OC(C)(C(=O)Br)C(=O)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4641322 0.84 HCAR2 (0.42) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4643653 0.83 HCAR2 (0.42) HCAR2ALDH1A1MAPTKDM4ELMNA
SCHEMBL4642714 0.77 HCAR2 (0.35) HCAR2KEAP1NFE2L2
SCHEMBL4645122 0.76 SRC (0.43) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4646092 0.74 MAPT (0.39) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL6553847 0.72 ABCG2 (0.39) MAPTKDM4EMAPK1HTTRAB9A
SCHEMBL4643974 0.70 HCAR2 (0.41) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL8451389 0.68 NFE2L2 (0.65) HCAR2KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL8449337 0.68 NFE2L2 (0.65) HCAR2KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL8449347 0.68 NFE2L2 (0.65) HCAR2KEAP1NFE2L2ALDH1A1MAPT

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