SCHEMBL8098016

SCHEMBL8098016

N=C(N)NCCCC(NC(=O)C1(C(=O)NCC2Cc3ccccc3C2)CCCC1)OBOC(CCCNC(=N)N)NC(=O)C1(C(=O)NCC2Cc3ccccc3C2)CCCC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.31
BCHE P06276 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
SCHEMBL8098034 0.94 SPHK1 (0.31) SPHK1
SCHEMBL8098170 0.88 MME (0.32) BCHE
SCHEMBL8095146 0.84 F2 (0.37) SPHK1
SCHEMBL8098206 0.83 C3AR1 (0.35)
SCHEMBL8090174 0.83 F2 (0.39) SPHK1
SCHEMBL8095211 0.83 MMP8 (0.42) SPHK1
SCHEMBL8091524 0.83 F2 (0.37) SPHK1
SCHEMBL8098172 0.82 MME (0.31)
SCHEMBL8091528 0.82 F2 (0.37) SPHK1
SCHEMBL8083437 0.80 MAPT (0.32) SPHK1

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