SCHEMBL1075742

SCHEMBL1075742

CCCCCN1C(=O)C1CC(C)CC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.40
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
MMP1 P03956 3/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 3/20 0.34
FAAH O00519 2/20 0.34
CNR2 P34972 3/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABL1 P00519 2/20 0.33
RIN1 Q13671 2/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL3806103 0.76 GBA1 (0.46) GBA1GAATP53MMP1MMP3
SCHEMBL9017626 0.74 GBA1 (0.49) GBA1GAATP53MMP1MMP3
SCHEMBL9017602 0.74 GBA1 (0.49) GBA1GAATP53MMP1MMP3
SCHEMBL7192019 0.70 GAA (0.50) GBA1GAATP53MMP1MMP3
SCHEMBL7194468 0.66 GAA (0.41) GBA1GAATP53MMP1MMP3
SCHEMBL35106 0.64 MEN1 (0.30)
SCHEMBL11403361 0.62 GBA1 (0.56) GBA1GAATP53PTGS1PTGS2
Hexane SCHEMBL9392301 0.62 TSHR (0.50)
SCHEMBL10382407 0.61 GBA1 (0.55) GBA1GAATP53PTGS1PTGS2
SCHEMBL11359259 0.61 GBA1 (0.70) GBA1GAATP53PTGS1PTGS2

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-2448485-A2 ANALYTE SENSOR Dexcom, Inc. (US) 2012-05-09 EP disclosed
WO-2011003035-A2 ANALYTE SENSOR DEXCOM, INC. (US) 2011-01-06 WO disclosed