SCHEMBL8090101

SCHEMBL8090101

COC12CCC(c3cccc(C(=O)NC(CCCNC(=N)N)B(O)O)c3)(CC1)CC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.36
F10 P00742 6/20 0.33
PRSS1 P07477 5/20 0.33
PLG P00747 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTRB1 P17538 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAMPT P43490 1/20 0.31
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
PADI4 Q9UM07 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 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
SCHEMBL8090103 1.00 F2 (0.36) F2F10PRSS1PLGALDH1A1
SCHEMBL8091516 0.89 F2 (0.38) F2F10PRSS1PLGCTRB1
SCHEMBL8091514 0.89 F2 (0.38) F2F10PRSS1PLGCTRB1
SCHEMBL8095297 0.89 F2 (0.40) F2F10PRSS1PLGALDH1A1
SCHEMBL8095303 0.89 F2 (0.40) F2F10PRSS1PLGALDH1A1
SCHEMBL8083538 0.86 F2 (0.39) F2F10ALDH1A1CTRB1
SCHEMBL8083536 0.86 F2 (0.39) F2F10ALDH1A1CTRB1
SCHEMBL8095195 0.84 F10 (0.33) F2F10PRSS1ALDH1A1TAS1R3
SCHEMBL8098110 0.78 F2 (0.42) F2F10PRSS1PLGCTRB1
SCHEMBL8098104 0.78 F2 (0.42) F2F10PRSS1PLGCTRB1

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