SCHEMBL6454866

SCHEMBL6454866

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
ADH4 P08319 2/20 0.41
ADH7 P40394 2/20 0.41
ZDHHC7 Q9NXF8 1/20 0.35
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.34
SMPD1 P17405 3/20 0.33
TRPA1 O75762 1/20 0.33
DDAH1 O94760 1/20 0.33
GAPDH P04406 1/20 0.33
TSHR P16473 1/20 0.32
GPR84 Q9NQS5 3/20 0.32
FDPS P14324 3/20 0.32
FFAR1 O14842 1/20 0.32
LCK P06239 1/20 0.31
PPARD Q03181 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31

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
SCHEMBL6454870 0.79 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6006505 0.75 ZDHHC7 (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6454885 0.73 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18188022 0.72 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3040229 0.72 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28553530 0.72 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL76606 0.72 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18187976 0.72 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18188004 0.72 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24654117 0.71 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