SCHEMBL6454885

SCHEMBL6454885

CCCCCCCCCCC(CN[C]=O)OC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH4 P08319 2/20 0.39
ADH7 P40394 2/20 0.39
ZDHHC7 Q9NXF8 1/20 0.33
EPHX1 P07099 2/20 0.33
MAPT P10636 2/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CTSK P43235 3/20 0.32
SMPD1 P17405 3/20 0.31
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
OPRM1 P35372 1/20 0.31
TSHR P16473 1/20 0.31
TLR2 O60603 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
SCHEMBL25693415 0.80 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17040069 0.80 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17040070 0.80 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17123651 0.80 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL25787303 0.80 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24654117 0.80 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1614822 0.80 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18782878 0.80 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18188028 0.80 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20328385 0.80 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525182-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2005-04-27 EP claimed
WO-2004013086-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2004-02-12 WO claimed
EP-1525182-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2005-04-27 EP disclosed
WO-2004013086-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2004-02-12 WO disclosed