SCHEMBL6036734

SCHEMBL6036734

CCCCCCCCCCCCN[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.46
PLA2G2A P14555 2/20 0.45
PLA2G5 P39877 2/20 0.45
EPHX1 P07099 9/20 0.45
BCHE P06276 1/20 0.45
PLA2G10 O15496 2/20 0.41
NOD1 Q9Y239 1/20 0.41
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
RRM1 P23921 1/20 0.38
CASP2 P42575 1/20 0.38

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
SCHEMBL10454099 1.00 MMP8 (0.46) MMP8PLA2G2APLA2G5EPHX1BCHE
SCHEMBL18944050 1.00 MMP8 (0.46) MMP8PLA2G2APLA2G5EPHX1BCHE
SCHEMBL18944204 1.00 MMP8 (0.46) MMP8PLA2G2APLA2G5EPHX1BCHE
Hydrochloric Acid SCHEMBL7765619 0.98 MMP8 (0.45) MMP8PLA2G2APLA2G5EPHX1BCHE
SCHEMBL28089035 0.98 BCHE (0.46) MMP8PLA2G2APLA2G5EPHX1BCHE
SCHEMBL28089034 0.98 BCHE (0.46) MMP8PLA2G2APLA2G5EPHX1BCHE
SCHEMBL27696190 0.93 BCHE (0.50) MMP8PLA2G2APLA2G5EPHX1BCHE
SCHEMBL6035952 0.93 BCHE (0.50) MMP8PLA2G2APLA2G5EPHX1BCHE
SCHEMBL13374712 0.93 BCHE (0.50) MMP8PLA2G2APLA2G5EPHX1BCHE
SCHEMBL6507883 0.85 BCHE (0.39) MMP8PLA2G2APLA2G5BCHE

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-1675876-A2 CYCLODEXTRIN AMPHIPHILIC DERIVATIVES, METHOD FOR PREPARING SAME AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-07-05 EP disclosed
WO-2005042590-A2 CYCLODEXTRIN AMPHIPHILIC DERIVATIVES, METHOD FOR PREPARING SAME AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-05-12 WO disclosed