SCHEMBL587515

SCHEMBL587515

COC(=O)C1CCN(C(=O)OC)C(c2ccc(F)c(F)c2)C1.COC(=O)N1CCC(C(=O)O)CC1c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.39
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HCRTR2 O43614 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP1 P03956 1/20 0.35
ADAM17 P78536 1/20 0.35
OPRK1 P41145 2/20 0.35
P2RX7 Q99572 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL580676 0.96 FFAR2 (0.41) FFAR2ALDH1A1HCRTR2OPRK1P2RX7
SCHEMBL586638 0.96 DPP4 (0.39) FFAR2DPP4DPP8DPP9DPP7
SCHEMBL587629 0.89 ALDH1A1 (0.34) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL587349 0.88 MMP1 (0.41) SLC6A2SLC6A4SLC6A3MMP1ADAM17
SCHEMBL586626 0.87 OPRK1 (0.37) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL586604 0.86 OPRK1 (0.43) SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL580878 0.86 OPRK1 (0.40) SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL587433 0.85 SMN1; SMN2 (0.44) SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL586775 0.85 MAPT (0.36) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL587099 0.84 ALDH1A1 (0.34) DPP4DPP8DPP9DPP7ALDH1A1

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