SCHEMBL27567494

SCHEMBL27567494

COCc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)cc(C(=O)O)c1COC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.57
F10 P00742 19/20 0.57
PRSS1 P07477 19/20 0.57
F3 P13726 17/20 0.57
PRSS2 P07478 16/20 0.57
PRSS3 P35030 16/20 0.57
F2 P00734 17/20 0.52

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
SCHEMBL5882912 0.82 F7 (0.66) F7F10PRSS1F3PRSS2
Hydrochloric Acid SCHEMBL5882704 0.82 F7 (0.65) F7F10PRSS1F3PRSS2
SCHEMBL5882960 0.79 F7 (0.60) F7F10PRSS1F3PRSS2
Hydrochloric Acid SCHEMBL5882485 0.78 F7 (0.59) F7F10PRSS1F3PRSS2
SCHEMBL5882591 0.78 F7 (0.59) F7F10PRSS1F3PRSS2
Hydrochloric Acid SCHEMBL5882998 0.74 F7 (0.74) F7F10PRSS1F3PRSS2
SCHEMBL5882795 0.74 F7 (0.68) F7F10PRSS1F3PRSS2
Hydrochloric Acid SCHEMBL5882665 0.74 F7 (0.67) F7F10PRSS1F3PRSS2
SCHEMBL13161840 0.74 F7 (0.64) F7F10PRSS1F3PRSS2
Hydrochloric Acid SCHEMBL5882230 0.74 F7 (0.63) F7F10PRSS1F3PRSS2

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
CN-1245381-C Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
CN-1334798-A Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2002-02-06 CN disclosed