SCHEMBL8905509

SCHEMBL8905509

COc1ccc(C(N)(CC(=O)OC(=O)CCC(N)=O)c2ccc(C(=N)N)cc2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.42
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
PLAT P00750 2/20 0.42
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
MTNR1A P48039 2/20 0.37
PTGIR P43119 1/20 0.36
NQO2 P16083 2/20 0.35
PLG P00747 1/20 0.35
TMPRSS15 P98073 1/20 0.35
POLB P06746 1/20 0.34
F12 P00748 2/20 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
SCHEMBL8904537 0.84 F10 (0.36) PLAUF2F10PLATPRSS1
SCHEMBL8903581 0.78 WDR5 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL8905319 0.76 F2 (0.32) F2F10PRSS1PRSS2PRSS3
SCHEMBL8903748 0.71 PRSS1 (0.34) F2F10PRSS1PRSS2PRSS3
SCHEMBL8904367 0.70 PRSS1 (0.34) PLAUF2F10PRSS1PRSS2
SCHEMBL8904636 0.69 PRSS1 (0.35) PLAUF2F10PRSS1PRSS2
SCHEMBL8905138 0.66 PRSS1 (0.50) PLAUF2F10PRSS1PRSS2
Hydrochloric Acid SCHEMBL8500971 0.65 PRSS1 (0.51) PLAUF2F10PRSS1PRSS2
SCHEMBL8501000 0.63 PRSS1 (0.38) PLAUF2F10PRSS1PRSS2
SCHEMBL8903611 0.63 PRSS1 (0.36) PLAUF2F10PRSS1PRSS2

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