SCHEMBL22490369

SCHEMBL22490369

CC(C)OC(=O)CCn1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.57
TBXAS1 P24557 13/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL45903 0.81 EGLN3 (0.62) EGLN3TBXAS1ALDH1A1
SCHEMBL5707877 0.80 EGLN3 (0.53) EGLN3TBXAS1ALDH1A1
SCHEMBL47374 0.79 TBXAS1 (0.59) EGLN3TBXAS1ALDH1A1
SCHEMBL22554443 0.79 EGLN3 (0.44) EGLN3TBXAS1ALDH1A1LMNASMN1; SMN2
SCHEMBL8640926 0.78 EGLN3 (0.62) EGLN3TBXAS1ALDH1A1
SCHEMBL28346787 0.78 EGLN3 (0.62) EGLN3TBXAS1ALDH1A1
SCHEMBL21661627 0.77 EGLN3 (0.57) EGLN3TBXAS1ALDH1A1
SCHEMBL47372 0.77 EGLN3 (0.61) EGLN3TBXAS1ALDH1A1
SCHEMBL27782849 0.76 EGLN3 (0.56) EGLN3TBXAS1ALDH1A1
SCHEMBL4288379 0.75 EGLN3 (0.69) EGLN3TBXAS1ALDH1A1

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
US-20200308419-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-10-01 US disclosed