SCHEMBL4643716

SCHEMBL4643716

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GFPT1 Q06210 1/20 0.31
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4642281 1.00 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4644270 0.84 HCAR2 (0.44) HCAR2ALDH1A1TSHRMAPTHSD17B10
SCHEMBL4642370 0.84 HCAR2 (0.44) HCAR2ALDH1A1TSHRMAPTHSD17B10
SCHEMBL4642296 0.78 HCAR2 (0.41) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4644127 0.77 SRC (0.38) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4645189 0.76 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4641592 0.76 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4641605 0.73 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4643873 0.72 HCAR2 (0.42) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4646193 0.72 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 1 patent. 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