SCHEMBL7438592

SCHEMBL7438592

N=C(N)NCCCC(NC(=O)C1(C(=O)NCc2ccccc2)CCCC1)B(O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.40
PLG P00747 3/20 0.40
PRSS1 P07477 3/20 0.40
F10 P00742 4/20 0.38
TPSAB1 Q15661 2/20 0.38
MMP8 P22894 1/20 0.38
PLAT P00750 2/20 0.36
PSMB5 P28074 1/20 0.36
EPHX2 P34913 1/20 0.36
PROC P04070 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL7438599 1.00 F2 (0.40) F2PLGPRSS1F10TPSAB1
SCHEMBL7443014 0.93 F2 (0.38) F2PLGPRSS1F10TPSAB1
SCHEMBL7443007 0.93 F2 (0.38) F2PLGPRSS1F10TPSAB1
SCHEMBL7441839 0.92 F2 (0.37) F2PLGPRSS1F10TPSAB1
SCHEMBL7441844 0.92 F2 (0.37) F2PLGPRSS1F10TPSAB1
SCHEMBL7433719 0.91 F2 (0.43) F2PLGPRSS1F10MMP8
SCHEMBL7433728 0.91 F2 (0.43) F2PLGPRSS1F10MMP8
SCHEMBL7441692 0.91 F2 (0.38) F2PLGPRSS1F10TPSAB1
SCHEMBL7441687 0.91 F2 (0.38) F2PLGPRSS1F10TPSAB1
SCHEMBL7441608 0.89 F2 (0.39) F2PLGPRSS1TPSAB1MMP8

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP claimed
US-5814622-A COMPOUND USEFUL AS TRYPSIN LIKE SERINE PROTEASE AS THROMBIN INHIBITORS ADIR ET COMPAGNIE (FR) 1998-09-29 US claimed