SCHEMBL8560286

SCHEMBL8560286

CCCCOC(=O)CCCCNC(=N)N

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.52
DGKA P23743 1/20 0.51
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
DNM1 Q05193 1/20 0.44
ACHE P22303 6/20 0.44
HTR2C P28335 1/20 0.43

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
SCHEMBL8173122 0.95 EPHX2 (0.49) EPHX2DGKAPRSS1PRSS2PRSS3
SCHEMBL6763238 0.92 EPHX2 (0.51) EPHX2DGKAPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6758607 0.91 EPHX2 (0.46) EPHX2DGKAPRSS1PRSS2PRSS3
SCHEMBL17754031 0.89 ACHE (0.45) EPHX2DGKAPRSS1PRSS2PRSS3
SCHEMBL8558896 0.87 EPHX2 (0.46) EPHX2DGKAPRSS1PRSS2PRSS3
SCHEMBL17753923 0.87 ACHE (0.42) EPHX2DGKAPRSS1PRSS2PRSS3
SCHEMBL4099875 0.85 CYP1A2 (0.52) EPHX2
SCHEMBL21821530 0.84 HTR2C (0.54) EPHX2DGKAPRSS1PRSS2PRSS3
SCHEMBL4100220 0.84 EPHX2 (0.51) EPHX2DGKA
Trifluoroacetic Acid SCHEMBL6758189 0.83 EPHX2 (0.44) EPHX2DGKAPRSS1PRSS2PRSS3

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