SCHEMBL47372

SCHEMBL47372

CC(O)C(=O)CCn1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.61
TBXAS1 P24557 16/20 0.51
PRKCI P41743 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8640926 0.88 EGLN3 (0.62) EGLN3TBXAS1ALDH1A1
SCHEMBL4288379 0.78 EGLN3 (0.69) EGLN3TBXAS1ALDH1A1
Lactic Acid SCHEMBL15334027 0.78 TBXAS1 (0.57) EGLN3TBXAS1ALDH1A1
SCHEMBL23844568 0.78 TBXAS1 (0.57) EGLN3TBXAS1
SCHEMBL22490369 0.77 EGLN3 (0.57) EGLN3TBXAS1ALDH1A1
SCHEMBL21661627 0.77 EGLN3 (0.57) EGLN3TBXAS1ALDH1A1
Hydrochloric Acid SCHEMBL3642733 0.77 EGLN3 (0.67) EGLN3TBXAS1ALDH1A1
SCHEMBL5707877 0.76 EGLN3 (0.53) EGLN3TBXAS1ALDH1A1
SCHEMBL3685246 0.76 TBXAS1 (0.54) EGLN3TBXAS1
SCHEMBL2001103 0.76 EGLN3 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383721-B2 Polymerizable ionic liquid compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-26 US disclosed
US-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US disclosed