SCHEMBL8558896

SCHEMBL8558896

CCCOC(=O)CCCNC(=N)N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.46
DGKA P23743 1/20 0.46
TOP2A P11388 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 1/20 0.40
DNM1 Q05193 1/20 0.39

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
SCHEMBL6763238 0.95 EPHX2 (0.51) EPHX2DGKATOP2ASMN1; SMN2PRSS1
SCHEMBL8173122 0.92 EPHX2 (0.49) EPHX2DGKAPRSS1PRSS2PRSS3
SCHEMBL8560286 0.87 EPHX2 (0.52) EPHX2DGKAPRSS1PRSS2PRSS3
SCHEMBL17753923 0.87 ACHE (0.42) EPHX2DGKAPRSS1PRSS2PRSS3
SCHEMBL4109677 0.86 CYP1A2 (0.53) EPHX2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6758189 0.86 EPHX2 (0.44) EPHX2DGKATOP2APRSS1PRSS2
SCHEMBL17754031 0.85 ACHE (0.45) EPHX2DGKAPRSS1PRSS2PRSS3
SCHEMBL17754024 0.83 ALDH1A1 (0.43) EPHX2DGKATOP2APRSS1PRSS2
SCHEMBL4104465 0.82 EPHX2 (0.45) EPHX2DGKATOP2ASMN1; SMN2ACHE
SCHEMBL4099875 0.81 CYP1A2 (0.52) EPHX2SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed