SCHEMBL7007797

SCHEMBL7007797

CCCC(Oc1cccc(C(=N)NO)c1)C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.53
PRSS1 P07477 5/20 0.53
F2 P00734 3/20 0.44
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42

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
SCHEMBL6422067 1.00 F10 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL6298107 1.00 F10 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL6296860 0.91 F10 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL6424055 0.91 F10 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL6297033 0.91 F10 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL7007614 0.90 F10 (0.65) F10PRSS1F2PRSS2PRSS3
SCHEMBL7006420 0.90 F10 (0.65) F10PRSS1F2PRSS2PRSS3
SCHEMBL6298679 0.90 F10 (0.54) F10PRSS1F2PRSS2PRSS3
SCHEMBL6298684 0.89 F10 (0.51) F10PRSS1F2PRSS2PRSS3
SCHEMBL7005670 0.89 F10 (0.51) F10PRSS1F2PRSS2PRSS3

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-1268413-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP disclosed
WO-2001070678-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-27 WO disclosed