SCHEMBL8083447

SCHEMBL8083447

N=C(N)NCCC[CH]NC(=O)c1ccc(C23CCC(Cl)(CC2)CC3)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.33
SPHK2 Q9NRA0 2/20 0.33
F10 P00742 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
SCHEMBL8095242 0.97 SPHK1 (0.32) SPHK1SPHK2F10
SCHEMBL8090161 0.90 SPHK1 (0.33) SPHK1SPHK2F10
SCHEMBL8097998 0.88 SPHK1 (0.35) SPHK1SPHK2F10
SCHEMBL8098085 0.86 SPHK1 (0.33) SPHK1SPHK2F10
SCHEMBL8090129 0.86 ALDH1A1 (0.34) SPHK1SPHK2F10
SCHEMBL8083451 0.86 MAPK1 (0.40) F10
SCHEMBL8095245 0.85 MAPK1 (0.43)
SCHEMBL8091494 0.85 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL8091498 0.84 CYP1A2 (0.32)
SCHEMBL8083552 0.83 CTSB (0.33)

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