SCHEMBL8095308

SCHEMBL8095308

N=C(N)NCCC[CH]NC(=O)c1cccc(C23CCC(O)(CC2)CC3)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
F10 P00742 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PRSS1 P07477 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC3 O15379 1/20 0.31
NAMPT P43490 3/20 0.31
POLB P06746 1/20 0.31
CCR1 P32246 1/20 0.30
KCNA3 P22001 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
SCHEMBL8090161 0.87 SPHK1 (0.33) SPHK2SPHK1F10CCR1
SCHEMBL8095316 0.87 SMN1; SMN2 (0.43) F10SMN1; SMN2NAMPTPOLBCCR1
SCHEMBL8091514 0.79 F2 (0.38) SPHK2SPHK1F10SMN1; SMN2PRSS1
SCHEMBL8091516 0.79 F2 (0.38) SPHK2SPHK1F10SMN1; SMN2PRSS1
SCHEMBL8083447 0.78 SPHK1 (0.33) SPHK2SPHK1F10
SCHEMBL8083409 0.77 F10 (0.34) SPHK2SPHK1F10SMN1; SMN2PRSS1
SCHEMBL8097998 0.77 SPHK1 (0.35) SPHK2SPHK1F10
SCHEMBL8083411 0.76 F10 (0.34) F10PRSS1
SCHEMBL8098085 0.76 SPHK1 (0.33) SPHK2SPHK1F10SMN1; SMN2ALDH1A1
SCHEMBL8090129 0.76 ALDH1A1 (0.34) SPHK2SPHK1F10ALDH1A1HDAC3

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 4 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
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 claimed
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