SCHEMBL17091443

SCHEMBL17091443

CCCCCCCC/C=C\CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.87
▸ LGALS8 O00214 1/20 0.58
▸ LGALS3 P17931 1/20 0.58
▸ LGALS4 P56470 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CETP P11597 1/20 0.46
▸ B4GALT1 P15291 1/20 0.46
▸ CD69 Q07108 1/20 0.44
▸ TLR4 O00206 1/20 0.43

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
SCHEMBL16694432 1.00 MAPK1 (0.87) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL17208459 1.00 MAPK1 (0.87) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL17091444 1.00 MAPK1 (0.87) MAPK1LGALS8LGALS3LGALS4ALDH1A1
Methacrylic Acid SCHEMBL21879320 0.94 MAPK1 (0.77) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL25480942 0.93 MAPK1 (1.00) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL7722124 0.93 MAPK1 (1.00) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL15334244 0.93 MAPK1 (1.00) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL7715068 0.93 MAPK1 (1.00) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL19246175 0.93 MAPK1 (1.00) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL7718406 0.93 MAPK1 (1.00) MAPK1LGALS8LGALS3LGALS4ALDH1A1

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
EP-2921179-A1 Micellar nanoparticles containing antitumoral glycosides Fundación Centro Nacional de Investigaciones Cardiovasculares Carlos III (CNIC) (ES) 2015-09-23 — — EP claimed
EP-2921179-A1 Micellar nanoparticles containing antitumoral glycosides Fundación Centro Nacional de Investigaciones Cardiovasculares Carlos III (CNIC) (ES) 2015-09-23 — — EP disclosed
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