SCHEMBL8905460

SCHEMBL8905460

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.47
CPB2 Q96IY4 1/20 0.47
F2 P00734 8/20 0.40
F10 P00742 5/20 0.40
PRSS1 P07477 6/20 0.35
PLG P00747 1/20 0.34
PRSS2 P07478 1/20 0.34
C1S P09871 1/20 0.34
PRSS3 P35030 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PLAU P00749 1/20 0.33
ST14 Q9Y5Y6 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
SCHEMBL8503669 0.88 CPN1 (0.46) CPN1CPB2F2F10PRSS1
SCHEMBL8903701 0.75 CPN1 (0.47) CPN1CPB2F2F10PRSS1
SCHEMBL8906704 0.69 KLK1 (0.31)
SCHEMBL8692061 0.68 F10 (0.41) F2F10PRSS1PLGPRSS2
SCHEMBL8905138 0.67 PRSS1 (0.50) F2F10PRSS1PLGPRSS2
Hydrochloric Acid SCHEMBL8500971 0.66 PRSS1 (0.51) F2F10PRSS1PLGPRSS2
SCHEMBL8905203 0.66 F2 (0.41) CPN1CPB2F2F10PRSS1
SCHEMBL8905841 0.64 F2 (0.36) F2F10PRSS1PLGPRSS2
SCHEMBL8904239 0.64 F2 (0.36) F2F10PRSS1PLGPRSS2
SCHEMBL8407550 0.64 CPN1 (0.46) CPN1CPB2F2F10PRSS1

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