SCHEMBL8820095

SCHEMBL8820095

CCCCCC(=O)CCCCCNC(=O)OC[C@H]1O[C@H](O)[C@H](OC)[C@@H](O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
PRKACA P17612 1/20 0.39
TNF P01375 1/20 0.39
EPHX2 P34913 2/20 0.38
GBA1 P04062 3/20 0.38
ACHE P22303 7/20 0.37
ADORA1 P30542 1/20 0.36
TLR4 O00206 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL8820100 1.00 EPHX1 (0.42) EPHX1PRKACATNFEPHX2GBA1
SCHEMBL60343 0.94 EPHX1 (0.47) EPHX1TNFGBA1ACHEADORA1
SCHEMBL236414 0.94 EPHX1 (0.47) EPHX1TNFGBA1ACHEADORA1
SCHEMBL3635575 0.94 EPHX1 (0.47) EPHX1TNFGBA1ACHEADORA1
SCHEMBL5276297 0.84 EPHX1 (0.42) EPHX1ACHEADORA1TLR4
SCHEMBL1857528 0.82 EPHX1 (0.47) EPHX1ACHEADORA1TLR4PTGS1
SCHEMBL9404184 0.81 TLR4 (0.46) TNFTLR4
SCHEMBL11014335 0.81 TLR4 (0.46) TNFTLR4
SCHEMBL15870614 0.79 TLR4 (0.50) EPHX1PRKACAACHETLR4
SCHEMBL60344 0.79 TLR4 (0.50) EPHX1PRKACAACHETLR4

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
WO-1997049715-A1 GLYCOSIDIC PERFLUOROALIPHATIC SURFACE-ACTIVE AGENTS, THEIR PREPARATION AND USE F2 CHEMICALS LIMITED (GB) 1997-12-31 WO disclosed