SCHEMBL8091597

SCHEMBL8091597

COC12CCC(c3ccc(C(=O)N[CH]CCCN(C)C(=N)N)cc3)(CC1)CC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 10/20 0.34
SPHK2 Q9NRA0 2/20 0.34
F10 P00742 2/20 0.31
KLKB1 P03952 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
SCHEMBL8090147 0.86 SIGMAR1 (0.30)
SCHEMBL8090129 0.84 ALDH1A1 (0.34) SPHK1SPHK2F10
SCHEMBL8091664 0.83 POLB (0.33) SPHK1SPHK2
SCHEMBL8095325 0.82 POLB (0.33)
SCHEMBL8091620 0.81 ALDH1A1 (0.32)
SCHEMBL8098109 0.80 ALDH1A1 (0.33)
SCHEMBL8098037 0.79 NOS3 (0.33) SPHK1SPHK2
SCHEMBL8098042 0.78 NOS3 (0.33)
SCHEMBL8091494 0.74 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL8090137 0.73 NPC1 (0.45)

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