SCHEMBL17754010

SCHEMBL17754010

O=CNCC1CCCOC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.59
ADH1C P00326 2/20 0.59
ADH1A P07327 2/20 0.59
ADH7 P40394 2/20 0.59
ADH4 P08319 1/20 0.59
NAMPT P43490 3/20 0.34
DRD4 P21917 2/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
PDE8B O95263 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
SCHEMBL15213162 0.88
SCHEMBL15213163 0.79
SCHEMBL1608989 0.79
SCHEMBL304641 0.77
SCHEMBL7356997 0.76 NAMPT (0.36) ADH1BADH1CADH1AADH7ADH4
SCHEMBL2652703 0.75 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL8952019 0.74 ADH1A (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL8606031 0.74 ADH1A (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL5651614 0.74 ADH1A (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL13243254 0.74 ADH1B (0.74) ADH1BADH1CADH1AADH7ADH4

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-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 WO disclosed