SCHEMBL17091458

SCHEMBL17091458

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.67
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ LGALS8 O00214 1/20 0.46
▸ LGALS3 P17931 1/20 0.46
▸ LGALS4 P56470 1/20 0.46
▸ CETP P11597 1/20 0.43
▸ TLR4 O00206 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SELP P16109 1/20 0.40

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
SCHEMBL17091464 1.00 MAPK1 (0.67) MAPK1CA1CA2CA9LGALS8
SCHEMBL16694650 1.00 MAPK1 (0.67) MAPK1CA1CA2CA9LGALS8
SCHEMBL17091443 0.88 MAPK1 (0.87) MAPK1CA1CA2CA9LGALS8
SCHEMBL17091444 0.88 MAPK1 (0.87) MAPK1CA1CA2CA9LGALS8
SCHEMBL17208459 0.88 MAPK1 (0.87) MAPK1CA1CA2CA9LGALS8
SCHEMBL16694432 0.88 MAPK1 (0.87) MAPK1CA1CA2CA9LGALS8
SCHEMBL17091475 0.85 MAPK1 (0.47) MAPK1CETPTLR4SELP
SCHEMBL19700758 0.83 MAPK1 (0.58) MAPK1CA1CA2CA9LGALS8
Methacrylic Acid SCHEMBL21879320 0.82 MAPK1 (0.77) MAPK1CA1CA2CA9LGALS8
SCHEMBL29172928 0.81 MAPK1 (0.54) MAPK1CA1CA2CA9LGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015140160-A1 MICELLAR NANOPARTICLES CONTAINING ANTITUMORAL GLYCOSIDES FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (ES) 2015-09-24 — — WO claimed
EP-2921179-A1 Micellar nanoparticles containing antitumoral glycosides Fundación Centro Nacional de Investigaciones Cardiovasculares Carlos III (CNIC) (ES) 2015-09-23 — — EP claimed
WO-2015140160-A1 MICELLAR NANOPARTICLES CONTAINING ANTITUMORAL GLYCOSIDES FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES CARDIOVASCULARES CARLOS III (ES) 2015-09-24 — — WO disclosed
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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