SCHEMBL17091475

SCHEMBL17091475

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.47
▸ SLC2A1 P11166 1/20 0.47
▸ TLR4 O00206 5/20 0.39
▸ SELP P16109 2/20 0.37
▸ FAAH O00519 3/20 0.37
▸ CES1 P23141 2/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ CETP P11597 1/20 0.37

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
SCHEMBL17091458 0.85 MAPK1 (0.67) MAPK1TLR4SELPCETP
SCHEMBL17091464 0.85 MAPK1 (0.67) MAPK1TLR4SELPCETP
SCHEMBL16694650 0.85 MAPK1 (0.67) MAPK1TLR4SELPCETP
SCHEMBL12601163 0.82 MAPK1 (0.52) MAPK1SLC2A1TLR4GBA1
SCHEMBL12762999 0.81 MAPK1 (0.53) MAPK1SLC2A1TLR4GBA1
SCHEMBL12371581 0.81 MAPK1 (0.53) MAPK1SLC2A1TLR4GBA1
SCHEMBL14670337 0.77 SLC2A1 (0.56) MAPK1SLC2A1GBA1CETP
SCHEMBL8630393 0.76 SLC2A1 (0.54) MAPK1SLC2A1GBA1CETP
SCHEMBL21137947 0.74 PYGB (0.50) MAPK1SLC2A1TLR4GBA1
SCHEMBL13179119 0.74 SLC2A1 (0.56) SLC2A1CETP

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 1 patent. 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 disclosed
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