SCHEMBL8905731

SCHEMBL8905731

N=C(N)c1ccc(C(CC(=O)ON)(C(=O)CCC(N)=O)C2CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.35
ITGA2B P08514 7/20 0.35
F2 P00734 4/20 0.32
PRSS1 P07477 4/20 0.32
PLG P00747 3/20 0.32
TPSAB1 Q15661 3/20 0.32
TPSD1 Q9BZJ3 3/20 0.32
TPSG1 Q9NRR2 3/20 0.32
PRSS2 P07478 3/20 0.31
PRSS3 P35030 3/20 0.31
ST14 Q9Y5Y6 1/20 0.31

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
SCHEMBL8905841 0.76 F2 (0.36) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL8904239 0.71 F2 (0.36) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL8904782 0.68 PRSS1 (0.36) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8903581 0.64 WDR5 (0.41) F2PRSS1PLGPRSS2PRSS3
SCHEMBL8905460 0.63 CPN1 (0.47) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL8904367 0.63 PRSS1 (0.34) F2PRSS1PLGPRSS2PRSS3
SCHEMBL8905138 0.62 PRSS1 (0.50) F2PRSS1PLGPRSS2PRSS3
SCHEMBL8903748 0.62 PRSS1 (0.34) F2PRSS1PLGPRSS2PRSS3
SCHEMBL8503669 0.62 CPN1 (0.46) F2PRSS1PLGPRSS2PRSS3
SCHEMBL28102936 0.62 PRSS1 (0.55) F2PRSS1PLGPRSS2PRSS3

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