SCHEMBL7410198

SCHEMBL7410198

CCOc1cc(OCCO)c(C(Nc2ccc(C(=N)NO)cc2)C(=O)O)cc1CC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.45
F7 P08709 15/20 0.45
F3 P13726 13/20 0.45
PRSS1 P07477 13/20 0.45
PRSS2 P07478 11/20 0.45
PRSS3 P35030 11/20 0.45
F2 P00734 11/20 0.44
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 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
SCHEMBL5883027 0.93 F10 (0.47) F10F7F3PRSS1PRSS2
SCHEMBL5882844 0.90 F7 (0.45) F10F7F3PRSS1PRSS2
SCHEMBL5882377 0.89 F7 (0.58) F10F7F3PRSS1PRSS2
Acetic Acid SCHEMBL5883161 0.88 F7 (0.56) F10F7F3PRSS1PRSS2
SCHEMBL7414259 0.87 F10 (0.43) F10F7F3PRSS1PRSS2
SCHEMBL7414799 0.85 F10 (0.50) F10F7F3PRSS1PRSS2
SCHEMBL7144834 0.85 F10 (0.45) F10F7F3PRSS1PRSS2
SCHEMBL7144841 0.85 F10 (0.45) F10F7F3PRSS1PRSS2
SCHEMBL27573411 0.84 F10 (0.44) F10F7F3PRSS1PRSS2
Hydrochloric Acid SCHEMBL7141543 0.83 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