SCHEMBL586775

SCHEMBL586775

COC(=O)C1CCN(C(=O)OC)C(c2cc(F)c(C(F)(F)F)c(F)c2)C1.COC(=O)N1CCC(C(=O)O)CC1c1cc(F)c(C(F)(F)F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOTUM Q6P988 2/20 0.34
RBP4 P02753 2/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRK1 P41145 1/20 0.32
PDK2 Q15119 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL581842 0.96 MAPT (0.39) MAPTTDP1RBP4DPP4DPP8
SCHEMBL581653 0.96 NOTUM (0.37) MAPTTDP1NOTUMRBP4ITGB2
SCHEMBL587629 0.89 ALDH1A1 (0.34) MAPTTDP1DPP4DPP8DPP9
SCHEMBL586626 0.87 OPRK1 (0.37) MAPTTDP1DPP4DPP8DPP9
SCHEMBL587515 0.85 FFAR2 (0.39) MAPTDPP4DPP8DPP9DPP7
SCHEMBL580849 0.84 P2RX7 (0.35) NOTUMNPSR1HPGDHSD17B10
SCHEMBL587299 0.84 DPP4 (0.36) MAPTTDP1DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL581998 0.84 MAPT (0.32) MAPTTDP1NOTUMPDK2
SCHEMBL3087105 0.83 NOTUM (0.40) NOTUMITGB2ICAM1ITGALDPP4
SCHEMBL586674 0.83 NOTUM (0.44) MAPTTDP1NOTUMALDH1A1

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