SCHEMBL587344

SCHEMBL587344

CC1(C)OB(c2cc(F)c(C(F)(F)F)c(F)c2)OC1(C)C.Fc1cc(Br)cc(F)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.39
LIPG Q9Y5X9 7/20 0.39
ROCK1 Q13464 1/20 0.33
F2 P00734 1/20 0.33
F11 P03951 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL587211 0.92 LPL (0.44) LPLLIPGROCK1F2F11
SCHEMBL28906593 0.81 LPL (0.39) LPLLIPGROCK1F2F11
SCHEMBL28516240 0.80 LPL (0.38) LPLLIPGROCK1
SCHEMBL2393633 0.80 LPL (0.36) LPLLIPGROCK1F2F11
SCHEMBL31256428 0.78 LPL (0.36) LPLLIPGF2F11PRSS1
SCHEMBL29016499 0.78 LPL (0.47) LPLLIPGROCK1F11
SCHEMBL16532616 0.78 LPL (0.38) LPLLIPGF2F11PRSS1
SCHEMBL24616359 0.77 LPL (0.35) LPLLIPGF2F11PRSS1
SCHEMBL14488668 0.77 ROCK1 (0.39) LPLLIPGROCK1F11FFAR1
SCHEMBL14488670 0.77 LIPG (0.38) LPLLIPGROCK1F11FFAR1

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-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed