SCHEMBL45922

SCHEMBL45922

C=CC(=O)OCC(CC)(COC(=O)CCn1ccnc1)COC(=O)CCn1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.43
THRB P10828 1/20 0.42
TBXAS1 P24557 11/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL45938 1.00 EGLN3 (0.43) EGLN3THRBTBXAS1ALDH1A1TP53
SCHEMBL18772408 0.96 EGLN3 (0.39) EGLN3THRBTBXAS1ALDH1A1TP53
SCHEMBL14331534 0.93 EGLN3 (0.47) EGLN3TBXAS1ALDH1A1TP53CYP3A4
SCHEMBL14331532 0.93 EGLN3 (0.47) EGLN3TBXAS1ALDH1A1TP53CYP3A4
SCHEMBL45923 0.90 EGLN3 (0.51) EGLN3TBXAS1ALDH1A1ABL1RIN1
SCHEMBL15223328 0.89 ALDH1A1 (0.52) EGLN3TBXAS1ALDH1A1TP53CYP3A4
SCHEMBL15223327 0.89 ALDH1A1 (0.52) EGLN3TBXAS1ALDH1A1TP53CYP3A4
SCHEMBL18772431 0.85 EGLN3 (0.47) EGLN3TBXAS1ALDH1A1ABL1RIN1
SCHEMBL15223329 0.82 EGLN3 (0.57) EGLN3TBXAS1ALDH1A1
SCHEMBL28481280 0.78 ALDH1A1 (0.49) EGLN3TBXAS1ALDH1A1CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571908-B1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2017-04-26 EP disclosed
US-8383721-B2 Polymerizable ionic liquid compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-26 US disclosed
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
US-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US disclosed