SCHEMBL29595263

SCHEMBL29595263

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
CYP2D6 P10635 2/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
HTR1A P08908 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN3A Q9NY46 1/20 0.33
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32

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
SCHEMBL22753320 1.00 ELANE (0.36) ELANEMAPK1HIF1AKMT2AALDH1A1
SCHEMBL30106747 1.00 ELANE (0.36) ELANEMAPK1HIF1AKMT2AALDH1A1
SCHEMBL30106749 0.82 ELANE (0.36) ELANEMAPK1HIF1AKMT2AALDH1A1
SCHEMBL29595654 0.82 ELANE (0.36) ELANEMAPK1HIF1AKMT2AALDH1A1
SCHEMBL157371 0.82 MAPK1 (0.51) ELANEMAPK1HIF1AKMT2AALDH1A1
SCHEMBL157372 0.76 MAPK1 (0.44) ELANEMAPK1HIF1AKMT2AALDH1A1
SCHEMBL11027062 0.73 ALDH1A1 (0.44) MAPK1HIF1AKMT2AALDH1A1MEN1
SCHEMBL720787 0.73 MAPK1 (0.54) MAPK1HIF1AKMT2AALDH1A1MEN1
SCHEMBL11315932 0.72 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL43993 0.71 ALDH1A1 (0.33) ALDH1A1

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-4025657-A1 AROMATIC ENOL ETHER PAINT ADDITIVES Eastman Chemical Company (US) 2022-07-13 EP disclosed
EP-4025558-A1 AROMATIC ENOL ETHERS Eastman Chemical Company (US) 2022-07-13 EP disclosed
WO-2022076359-A1 A PROCESS FOR MAKING ENOL ETHERS EASTMAN CHEMICAL COMPANY (US) 2022-04-14 WO disclosed