SCHEMBL8098110

SCHEMBL8098110

N=C(N)NCCC[C@H](NC(=O)c1ccc(C23CCC(O)(CC2)CC3)cc1)B(O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.42
CTRB1 P17538 2/20 0.34
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
F10 P00742 4/20 0.32
NPY4R P50391 4/20 0.30
NPY1R P25929 3/20 0.30
PADI4 Q9UM07 1/20 0.30
NPY2R P49146 2/20 0.30
NPY5R Q15761 2/20 0.30

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
SCHEMBL8098104 1.00 F2 (0.42) F2CTRB1PLGPRSS1ITGB3
SCHEMBL8091514 0.88 F2 (0.38) F2CTRB1PLGPRSS1F10
SCHEMBL8095297 0.88 F2 (0.40) F2CTRB1PLGPRSS1ITGB3
SCHEMBL8095303 0.88 F2 (0.40) F2CTRB1PLGPRSS1ITGB3
SCHEMBL8091516 0.88 F2 (0.38) F2CTRB1PLGPRSS1F10
SCHEMBL8083536 0.85 F2 (0.39) F2CTRB1ITGB3ITGA2BF10
SCHEMBL8083538 0.85 F2 (0.39) F2CTRB1ITGB3ITGA2BF10
SCHEMBL8090163 0.82 MAPK1 (0.41) ITGB3ITGA2BF10
SCHEMBL8083531 0.81 NPY1R (0.31) ITGB3ITGA2BNPY4RNPY1R
SCHEMBL8090103 0.78 F2 (0.36) F2CTRB1PLGPRSS1F10

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
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP claimed