SCHEMBL4642296

SCHEMBL4642296

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 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
SCHEMBL4642382 0.85 HCAR2 (0.42) HCAR2ALDH1A1MAPTLMNATP53
SCHEMBL4641605 0.81 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4642281 0.78 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4643716 0.78 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4641794 0.74 HCAR2 (0.36) HCAR2KEAP1NFE2L2
SCHEMBL4645189 0.73 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4641592 0.73 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4645080 0.73 ALDH1A1 (0.42) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4642392 0.71 SLC2A1 (0.40) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL4643873 0.70 HCAR2 (0.42) HCAR2KEAP1NFE2L2ALDH1A1TSHR

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