SCHEMBL587433

SCHEMBL587433

COC(=O)C1CCN(C(=O)OC)C(c2ccc(Cl)cc2)C1.COC(=O)N1CCC(C(=O)O)CC1c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 6/20 0.41
SLC6A4 P31645 6/20 0.41
SLC6A3 Q01959 6/20 0.41
MAPT P10636 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL587444 0.95 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL581832 0.95 NOTUM (0.44) SMN1; SMN2L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL587349 0.88 MMP1 (0.41) SLC6A2SLC6A4SLC6A3NOTUM
SCHEMBL586674 0.85 NOTUM (0.44) MAPTNOTUM
SCHEMBL587515 0.85 FFAR2 (0.39) SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL587575 0.85 SLC6A4 (0.43) SLC6A4MAPT
SCHEMBL582040 0.85 ALDH1A1 (0.48) SMN1; SMN2SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL582155 0.84 RIPK1 (0.47) SMN1; SMN2SLC6A2SLC6A4SLC6A3NOTUM
SCHEMBL586626 0.83 OPRK1 (0.37) SMN1; SMN2L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL580596 0.83 NOTUM (0.45) SMN1; SMN2MAPTNOTUM

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