SCHEMBL7414259

SCHEMBL7414259

CCOC(=O)COc1cc(OCC)c(CC)cc1C(Nc1ccc(C(=N)NO)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.43
F7 P08709 15/20 0.43
F3 P13726 13/20 0.43
PRSS1 P07477 13/20 0.43
PRSS2 P07478 11/20 0.43
PRSS3 P35030 11/20 0.43
F2 P00734 11/20 0.41
SRD5A2 P31213 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5883914 0.90 F7 (0.56) F10F7F3PRSS1PRSS2
Acetic Acid SCHEMBL5883276 0.88 F7 (0.54) F10F7F3PRSS1PRSS2
SCHEMBL7410198 0.87 F10 (0.45) F10F7F3PRSS1PRSS2
SCHEMBL5883245 0.83 F10 (0.51) F10F7F3PRSS1PRSS2
Acetic Acid SCHEMBL5882451 0.81 F10 (0.57) F10F7F3PRSS1PRSS2
SCHEMBL5883801 0.81 F7 (0.59) F10F7F3PRSS1PRSS2
SCHEMBL5882181 0.81 F7 (0.59) F10F7F3PRSS1PRSS2
SCHEMBL5883285 0.80 F7 (0.46) F10F7F3PRSS1PRSS2
SCHEMBL5883027 0.80 F10 (0.47) F10F7F3PRSS1PRSS2
SCHEMBL5883196 0.79 F10 (0.43) F10F7F3PRSS1PRSS2

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-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed