SCHEMBL587629

SCHEMBL587629

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
OPRK1 P41145 1/20 0.34
P2RX7 Q99572 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MMP1 P03956 1/20 0.32
ADAM17 P78536 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL587299 0.95 DPP4 (0.36) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL580849 0.95 P2RX7 (0.35) NPSR1P2RX7HPGDHSD17B10
SCHEMBL586626 0.91 OPRK1 (0.37) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL586775 0.89 MAPT (0.36) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL587515 0.89 FFAR2 (0.39) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL580874 0.86 CHRNB4 (0.35) OPRK1
SCHEMBL586973 0.86 OPRK1 (0.39) ALDH1A1MAPTMEN1KMT2ADPP4
SCHEMBL587349 0.85 MMP1 (0.41) MMP1ADAM17SLC6A2SLC6A4SLC6A3
SCHEMBL587099 0.84 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL581842 0.84 MAPT (0.39) ALDH1A1MAPTNPSR1MEN1KMT2A

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