SCHEMBL7433686

SCHEMBL7433686

CC(C)(C(=O)NCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)B(O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.46
PLG P00747 5/20 0.46
PRSS1 P07477 5/20 0.46
RIPK1 Q13546 1/20 0.41
PLAT P00750 4/20 0.40
F10 P00742 3/20 0.40
OPRK1 P41145 1/20 0.39
MMP8 P22894 1/20 0.38
PSMB5 P28074 1/20 0.38
CTRB1 P17538 3/20 0.38
POLB P06746 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
SCHEMBL7438271 0.93 F2 (0.43) F2PLGPRSS1RIPK1PLAT
SCHEMBL7438276 0.85 F2 (0.38) F2PLGPRSS1RIPK1F10
SCHEMBL8098103 0.83 RIPK1 (0.51) RIPK1OPRK1MMP8POLB
SCHEMBL7432257 0.81 F2 (0.40) F2PLGPRSS1RIPK1PLAT
SCHEMBL8095253 0.81 RIPK1 (0.39) RIPK1OPRK1MMP8POLB
SCHEMBL26616818 0.80 CTRB1 (0.59) RIPK1OPRK1MMP8PSMB5CTRB1
SCHEMBL26616826 0.80 CTRB1 (0.59) RIPK1OPRK1MMP8PSMB5CTRB1
SCHEMBL7438592 0.77 F2 (0.40) F2PLGPRSS1PLATF10
SCHEMBL7438599 0.77 F2 (0.40) F2PLGPRSS1PLATF10
SCHEMBL8098099 0.76 RIPK1 (0.44) RIPK1OPRK1MMP8POLB

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