SCHEMBL8091514

SCHEMBL8091514

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.38
F10 P00742 8/20 0.35
PRSS1 P07477 4/20 0.35
PADI4 Q9UM07 1/20 0.34
CTRB1 P17538 2/20 0.34
PADI6 Q6TGC4 1/20 0.33
PLG P00747 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
TPSAB1 Q15661 1/20 0.31

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
SCHEMBL8091516 1.00 F2 (0.38) F2F10PRSS1PADI4CTRB1
SCHEMBL8090103 0.89 F2 (0.36) F2F10PRSS1PADI4CTRB1
SCHEMBL8090101 0.89 F2 (0.36) F2F10PRSS1PADI4CTRB1
SCHEMBL8098110 0.88 F2 (0.42) F2F10PRSS1PADI4CTRB1
SCHEMBL8098104 0.88 F2 (0.42) F2F10PRSS1PADI4CTRB1
SCHEMBL8095316 0.84 SMN1; SMN2 (0.43) F10SMN1; SMN2
SCHEMBL8083409 0.83 F10 (0.34) F2F10PRSS1PADI4PADI6
SCHEMBL8083411 0.83 F10 (0.34) F2F10PRSS1PADI6
SCHEMBL8095308 0.79 SPHK2 (0.35) F10PRSS1SMN1; SMN2SPHK2SPHK1
SCHEMBL8095303 0.77 F2 (0.40) F2F10PRSS1CTRB1PLG

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