SCHEMBL47381

SCHEMBL47381

CCCCCCCCCCCCCCOC(=O)CCn1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 1/20 0.54
TBXA2R P21731 2/20 0.52
EGLN3 Q9H6Z9 1/20 0.50
CYP19A1 P11511 1/20 0.49
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NAAA Q02083 1/20 0.46
TLR2 O60603 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
SCHEMBL45905 0.94 TBXAS1 (0.54) TBXAS1SMN1; SMN2HTTMAPK1EGLN3
SCHEMBL45921 0.93 EGLN3 (0.57) TBXAS1EGLN3
SCHEMBL47383 0.91 EGLN3 (0.59) TBXAS1EGLN3LMNAKDM4E
SCHEMBL10653577 0.89 TBXAS1 (0.58) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL15223347 0.88 EGLN3 (0.59) TBXAS1EGLN3LMNA
Hydrochloric Acid SCHEMBL11828470 0.88 TBXAS1 (0.56) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL10820596 0.87 TBXAS1 (0.50) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL5859786 0.87 TBXAS1 (0.55) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL13755880 0.86 TBXAS1 (0.52) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL12790507 0.86 TBXAS1 (0.52) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R

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-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-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US disclosed