SCHEMBL8083409

SCHEMBL8083409

N=C(N)NCCCC(NC(=O)c1cccc(C23CCC(O)(CC2)CC3)c1)OBOC(CCCNC(=N)N)NC(=O)c1cccc(C23CCC(O)(CC2)CC3)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.34
PRSS1 P07477 7/20 0.34
PADI6 Q6TGC4 1/20 0.32
F2 P00734 2/20 0.31
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30
PADI4 Q9UM07 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
TPSAB1 Q15661 1/20 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
SCHEMBL8083411 0.94 F10 (0.34) F10PRSS1PADI6F2
SCHEMBL8091543 0.87 HPGDS (0.32) FNTAFNTB
SCHEMBL8095195 0.84 F10 (0.33) F10PRSS1F2SPHK2SPHK1
SCHEMBL8091514 0.83 F2 (0.38) F10PRSS1PADI6F2SPHK2
SCHEMBL8091516 0.83 F2 (0.38) F10PRSS1PADI6F2SPHK2
SCHEMBL8083531 0.82 NPY1R (0.31)
SCHEMBL8095316 0.82 SMN1; SMN2 (0.43) F10SMN1; SMN2
SCHEMBL8091545 0.80 ITGB3 (0.31)
SCHEMBL8091548 0.80 HPGDS (0.31) FNTAFNTB
SCHEMBL8095175 0.79 ITGB3 (0.32) SPHK1TPSAB1

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 disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed