SCHEMBL4645080

SCHEMBL4645080

COC(=O)C=CC(=O)OC(C(=O)OC(C)=O)C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
HCAR2 Q8TDS4 3/20 0.38
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.36
PARP1 P09874 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL4645346 0.87 MAPT (0.46) ALDH1A1CYP3A4HCAR2MAPTKMT2A
SCHEMBL4642392 0.87 SLC2A1 (0.40) ALDH1A1MAPTHTTKMT2ACA12
SCHEMBL4643250 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4HCAR2TSHRMAPT
SCHEMBL4645072 0.78 HCAR2 (0.47) ALDH1A1CYP3A4HCAR2TSHRMAPT
SCHEMBL4647771 0.78 HCAR2 (0.47) ALDH1A1CYP3A4HCAR2TSHRMAPT
SCHEMBL4644127 0.77 SRC (0.38) ALDH1A1CYP3A4HCAR2TSHRMAPT
SCHEMBL4644973 0.76 CA12 (0.41) ALDH1A1CYP3A4MAPTHTTKMT2A
SCHEMBL9464199 0.76 HCAR2 (0.54) ALDH1A1CYP3A4HCAR2TSHRMAPT
SCHEMBL4641605 0.75 HCAR2 (0.43) ALDH1A1HCAR2TSHRMAPTHTT
SCHEMBL4642296 0.73 HCAR2 (0.41) ALDH1A1HCAR2TSHRMAPTHTT

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