SCHEMBL8193585

SCHEMBL8193585

COC(CC(C)C)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.34
CTSL P07711 5/20 0.33
CTSB P07858 5/20 0.33
REN P00797 1/20 0.32
CTSH P09668 4/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
BCHE P06276 1/20 0.31
CYP1A2 P05177 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
SCHEMBL8193171 0.98 CTSK (0.32) CTSKCTSLCTSBREN
SCHEMBL8192178 0.94
SCHEMBL8192192 0.90
SCHEMBL10433960 0.90 CTSK (0.33) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL15732817 0.87 CTSK (0.31) CTSKCYP1A2
SCHEMBL13183864 0.76 CYP1A2 (0.39) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL3343320 0.74 CTSK (0.33) CTSKCTSLCTSBCTSH
SCHEMBL14537236 0.74 CTSK (0.45) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL7391857 0.74 REN (0.35) CTSKCTSLCTSBRENBCHE
SCHEMBL28410450 0.73

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
US-6110903-A INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE AT THE AMP SITE; ADMINISTERING TO TREAT DIABETES AND INHIBIT GLUCONEOGENESIS; 5-FLUORO-7-BROMO-1-ISOBUTYL-2-(2-PHOSPHONO-5-FURANYL) BENZIMIDAZOLE, FOR EXAMPLE SANKYO COMPANY LTD. (JP) 2000-08-29 US disclosed