SCHEMBL4643974

SCHEMBL4643974

CCC(OC(=O)C=CC(=O)OC)(C(=O)OC)C(=O)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4645849 0.90 HCAR2 (0.41) HCAR2ALDH1A1KDM4EMAPT
SCHEMBL4644585 0.80 SRC (0.40) ALDH1A1TSHRMAPT
SCHEMBL4641685 0.79 HCAR2 (0.35) HCAR2KEAP1NFE2L2
SCHEMBL4642058 0.78 CES1 (0.35) HCAR2ALDH1A1KDM4EMAPT
SCHEMBL4641721 0.75 HCAR2 (0.37) HCAR2KEAP1NFE2L2
SCHEMBL4641322 0.70 HCAR2 (0.42) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4644072 0.70 HCAR2 (0.42) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL29179063 0.69 THRB (0.36) ALDH1A1TSHRMAPT
SCHEMBL7709677 0.69 GAA (0.39) ALDH1A1TSHRTDP1
SCHEMBL17617136 0.68 ALDH1A1 (0.39) ALDH1A1TSHRKDM4ETDP1

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