SCHEMBL7433728

SCHEMBL7433728

N=C(N)NCCC[C@H](NC(=O)C1(C(=O)NCCc2ccccc2)CCCC1)B(O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.43
PLG P00747 4/20 0.43
PRSS1 P07477 4/20 0.43
F10 P00742 4/20 0.41
PLAT P00750 3/20 0.40
MMP8 P22894 1/20 0.39
SPHK1 Q9NYA1 4/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7433719 1.00 F2 (0.43) F2PLGPRSS1F10PLAT
SCHEMBL7435474 0.93 F2 (0.41) F2PLGPRSS1F10PLAT
SCHEMBL7435478 0.93 F2 (0.41) F2PLGPRSS1F10PLAT
SCHEMBL7438592 0.91 F2 (0.40) F2PLGPRSS1F10PLAT
SCHEMBL7438599 0.91 F2 (0.40) F2PLGPRSS1F10PLAT
SCHEMBL7444553 0.90 F2 (0.41) F2PLGPRSS1F10PLAT
SCHEMBL7437089 0.89 F2 (0.38) F2PLGPRSS1F10PLAT
Hydrochloric Acid SCHEMBL7434268 0.87 F2 (0.51) F2PLGPRSS1F10PLAT
Hydrochloric Acid SCHEMBL7434270 0.87 F2 (0.51) F2PLGPRSS1F10PLAT
SCHEMBL7438416 0.86 F2 (0.36) F2PLGPRSS1MMP8SPHK1

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