SCHEMBL7414436

SCHEMBL7414436

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)c1ccc(NC(C(=O)O)c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.44
F10 P00742 5/20 0.44
F2 P00734 4/20 0.44
PRSS1 P07477 4/20 0.44
F3 P13726 4/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR132 Q9UNW8 2/20 0.39
MAOB P27338 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
PPARG P37231 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL5882047 0.75 F7 (0.69) F7F10F2PRSS1F3
SCHEMBL17902821 0.73 SMPD1 (0.54) KMT2ASMN1; SMN2GPR132MAOBNR4A2
SCHEMBL19639256 0.73 SMPD1 (0.54) KMT2ASMN1; SMN2GPR132MAOBNR4A2
Trifluoroacetic Acid SCHEMBL5882279 0.73 F7 (0.62) F7F10F2PRSS1F3
SCHEMBL5881929 0.72 SGMS2 (0.58) F7F10F2PRSS1F3
SCHEMBL4599877 0.72 F10 (0.48) F7F10F2PRSS1F3
SCHEMBL27502186 0.72 SMN1; SMN2 (0.49) F7F10F2PRSS1F3
SCHEMBL5883277 0.72 F7 (0.46) F7F10F2PRSS1F3
SCHEMBL5883266 0.71 F7 (0.47) F7F10F2PRSS1F3
SCHEMBL30771236 0.70 SYK (0.50) KMT2ASMN1; SMN2GPR132MAOBPDK1

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