SCHEMBL20332148

SCHEMBL20332148

CCC(C)COCc1cn(CCOC(=O)C(C)(C)Br)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
DGAT1 O75907 4/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HSP90AB1 P08238 2/20 0.34
NPC1 O15118 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
CACNA1F O60840 3/20 0.34
ABCB1 P08183 3/20 0.34
CACNA1D Q01668 3/20 0.34
CACNA1S Q13698 3/20 0.34
CACNA1C Q13936 3/20 0.34

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
SCHEMBL20317591 0.77 ALOX5 (0.37) ALOX5DGAT1SLC6A2SLC6A4SLC6A3
SCHEMBL12207216 0.75 DGAT1 (0.41) ALOX5DGAT1HSP90AB1
SCHEMBL19452281 0.72 MAPT (0.46) MMP8
SCHEMBL12392763 0.70 NPC1 (0.42) ALOX5DGAT1NPC1MMP2MMP9
SCHEMBL18792791 0.70 DGAT1 (0.41) DGAT1CTSLCTSSCTSKNPC1
SCHEMBL12840969 0.69 CYP1A2 (0.38) ALOX5DGAT1SLC6A2SLC6A4SLC6A3
SCHEMBL17404786 0.68 DGAT1 (0.40) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21099982 0.68 DGAT1 (0.42) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21117940 0.68 DGAT1 (0.55) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL25911678 0.68 DGAT1 (0.40) ALOX5DGAT1HSP90AB1MMP2MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018119053-A1 ARRAYS INCLUDING A RESIN FILM AND A PATTERNED POLYMER LAYER ILLUMINA, INC. (US) 2018-06-28 WO disclosed