SCHEMBL45905

SCHEMBL45905

CCCCOC(=O)CCn1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.54
EGLN3 Q9H6Z9 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP19A1 P11511 1/20 0.48
ALDH1A1 P00352 1/20 0.48
QPCT Q16769 1/20 0.47

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
SCHEMBL47381 0.94 TBXAS1 (0.58) TBXAS1EGLN3SMN1; SMN2LMNAHTT
SCHEMBL27782849 0.91 EGLN3 (0.56) TBXAS1EGLN3GAAKDM4ECYP19A1
SCHEMBL47383 0.91 EGLN3 (0.59) TBXAS1EGLN3LMNAKDM4E
SCHEMBL15223347 0.91 EGLN3 (0.59) TBXAS1EGLN3LMNA
SCHEMBL45921 0.89 EGLN3 (0.57) TBXAS1EGLN3
SCHEMBL5859786 0.87 TBXAS1 (0.55) TBXAS1EGLN3SMN1; SMN2LMNAHTT
SCHEMBL29729354 0.86 TBXAS1 (0.63) TBXAS1SMN1; SMN2LMNAHTTMAPK1
SCHEMBL10653577 0.86 TBXAS1 (0.58) TBXAS1SMN1; SMN2LMNAHTTMAPK1
SCHEMBL45906 0.85 EGLN3 (0.53) TBXAS1EGLN3LMNAKDM4E
Hydrochloric Acid SCHEMBL11828470 0.85 TBXAS1 (0.56) TBXAS1SMN1; SMN2LMNAHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105439908-B The method that one kind catalyzes and synthesizes N, N ' 2-substituted carbamides derivative and imdazole derivatives 台州学院 2017-10-03 CN disclosed
EP-2571908-B1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2017-04-26 EP disclosed
CN-105439908-A Method for catalytically synthesizing N, N'-disubstituted urea derivative and imidazole derivative UNIV TAIZHOU 2016-03-30 CN disclosed
CN-103980204-B Ionic liquid-catalyzed amine and α, β-unsaturated electron deficiency receptor method TAIZHOU UNIVERSITY (CN) 2016-03-30 CN disclosed
CN-103980204-A Method for catalyzing amines and alpha, beta-unsaturated electron-deficient acceptors by ionic liquid UNIV TAIZHOU 2014-08-13 CN 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
WO-2011146326-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-11-24 WO 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