SCHEMBL8098085

SCHEMBL8098085

CC(C)C12CCC(c3ccc(C(=O)N[CH]CCCNC(=N)N)cc3)(CC1)CC2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.33
SPHK2 Q9NRA0 2/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30
F10 P00742 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) SPHK1SPHK2F10
SCHEMBL8098088 0.87 ITGB3 (0.41) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL8083447 0.86 SPHK1 (0.33) SPHK1SPHK2F10
SCHEMBL8090129 0.86 ALDH1A1 (0.34) SPHK1SPHK2NPC1RAB9AALDH1A1
SCHEMBL8097998 0.85 SPHK1 (0.35) SPHK1SPHK2ITGB3ITGA2BF10
SCHEMBL8091494 0.84 SPHK1 (0.34) SPHK1SPHK2NPC1RAB9ASMN1; SMN2
SCHEMBL8095242 0.83 SPHK1 (0.32) SPHK1SPHK2ITGB3ITGA2BF10
SCHEMBL8083517 0.78 ITGB3 (0.33) SPHK1ITGB3ITGA2BLMNA
SCHEMBL8083520 0.77 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8095308 0.76 SPHK2 (0.35) SPHK1SPHK2SMN1; SMN2ALDH1A1F10

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