SCHEMBL5045699

SCHEMBL5045699

CCOC(C(=O)NCc1ccc(C(=N)N)cc1OCC(N)=O)c1c(F)cc(OC)cc1F

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.74
PLAU P00749 2/20 0.39
F2 P00734 7/20 0.36
PRSS1 P07477 8/20 0.35
MAPK1 P28482 1/20 0.35
PLG P00747 1/20 0.34
F7 P08709 2/20 0.34
HPGD P15428 1/20 0.33
LTB4R Q15722 1/20 0.33

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
SCHEMBL5045716 1.00 F10 (0.74) F10PLAUF2PRSS1MAPK1
Hydrochloric Acid SCHEMBL5043192 0.99 F10 (0.75) F10PLAUF2PRSS1MAPK1
Hydrochloric Acid SCHEMBL5043198 0.99 F10 (0.75) F10PLAUF2PRSS1MAPK1
Hydrochloric Acid SCHEMBL5047567 0.94 F10 (0.68) F10PLAUF2PRSS1MAPK1
Hydrochloric Acid SCHEMBL5041928 0.94 F10 (0.68) F10PLAUF2PRSS1MAPK1
SCHEMBL5041473 0.92 F10 (0.63) F10PLAUF2PRSS1PLG
SCHEMBL5041486 0.92 F10 (0.63) F10PLAUF2PRSS1PLG
Hydrochloric Acid SCHEMBL5045874 0.91 F10 (0.65) F10PLAUF2PRSS1PLG
Hydrochloric Acid SCHEMBL5045863 0.91 F10 (0.65) F10PLAUF2PRSS1PLG
Hydrochloric Acid SCHEMBL5042443 0.91 F10 (0.66) F10PLAUF2PRSS1MAPK1

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP claimed