SCHEMBL8905203

SCHEMBL8905203

CC(C(=O)OC(=O)CCC(N)=O)C(N)c1ccc(C(=N)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.41
F10 P00742 5/20 0.41
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
KLKB1 P03952 1/20 0.36
PRSS1 P07477 6/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
PLG P00747 1/20 0.35
C1S P09871 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
F7 P08709 4/20 0.34
TMPRSS15 P98073 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
SCHEMBL8903672 0.79 F2 (0.39) F2F10CPN1CPB2PRSS1
SCHEMBL8903635 0.77 CPN1 (0.41) F2F10CPN1CPB2PRSS1
SCHEMBL8501000 0.71 PRSS1 (0.38) F2F10PRSS1PRSS2PRSS3
SCHEMBL8903701 0.70 CPN1 (0.47) F2F10CPN1CPB2PRSS1
SCHEMBL8475137 0.69 ALDH1A1 (0.34)
SCHEMBL8905138 0.68 PRSS1 (0.50) F2F10PRSS1PRSS2PRSS3
SCHEMBL8903611 0.68 PRSS1 (0.36) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8500971 0.67 PRSS1 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL8904367 0.66 PRSS1 (0.34) F2F10PRSS1PRSS2PRSS3
SCHEMBL8905460 0.66 CPN1 (0.47) F2F10CPN1CPB2PRSS1

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
US-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed