SCHEMBL7890253

SCHEMBL7890253

CCC(OC)c1cccc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.62
F10 P00742 18/20 0.62
PRSS1 P07477 18/20 0.62
F2 P00734 16/20 0.62
F3 P13726 14/20 0.62
PRSS2 P07478 12/20 0.62
PRSS3 P35030 12/20 0.62

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
SCHEMBL5882939 0.79 F7 (0.58) F7F10PRSS1F2F3
SCHEMBL5882165 0.79 F7 (0.58) F7F10PRSS1F2F3
Hydrochloric Acid SCHEMBL5882421 0.78 F7 (0.77) F7F10PRSS1F2F3
Hydrochloric Acid SCHEMBL5883182 0.78 F7 (0.57) F7F10PRSS1F2F3
Hydrochloric Acid SCHEMBL5882629 0.78 F7 (0.57) F7F10PRSS1F2F3
Hydrochloric Acid SCHEMBL5883646 0.78 F7 (0.57) F7F10PRSS1F2F3
Hydrochloric Acid SCHEMBL5882561 0.78 F7 (0.57) F7F10PRSS1F2F3
SCHEMBL5882039 0.78 F7 (0.61) F7F10PRSS1F2F3
SCHEMBL5881806 0.78 F7 (0.85) F7F10PRSS1F2F3
SCHEMBL5882942 0.78 F7 (0.85) F7F10PRSS1F2F3

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
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed