SCHEMBL14587455

SCHEMBL14587455

C#CCCCNC(=O)/C=C/C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.55
ZDHHC2 Q9UIJ5 2/20 0.44
GFPT1 Q06210 1/20 0.44
HCAR2 Q8TDS4 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL14587450 0.90 ZDHHC20 (0.50) ZDHHC20ZDHHC2GFPT1HCAR2KEAP1
SCHEMBL803250 0.81 ALDH1A1 (0.51) ZDHHC20ALDH1A1CYP1A2MEN1MAPT
SCHEMBL14587454 0.80 HCAR2 (0.52) ZDHHC20ZDHHC2GFPT1HCAR2KEAP1
SCHEMBL1831127 0.79 ZDHHC20 (0.56) ZDHHC20ZDHHC2GFPT1HCAR2KEAP1
SCHEMBL1831124 0.79 ZDHHC20 (0.56) ZDHHC20ZDHHC2GFPT1HCAR2KEAP1
SCHEMBL1831126 0.79 ZDHHC20 (0.56) ZDHHC20ZDHHC2GFPT1HCAR2KEAP1
SCHEMBL11529276 0.77 ZDHHC20 (0.63) ZDHHC20ZDHHC2GFPT1HCAR2KEAP1
SCHEMBL11529282 0.77 ZDHHC20 (0.63) ZDHHC20ZDHHC2GFPT1HCAR2KEAP1
SCHEMBL11527610 0.76 ZDHHC20 (0.66) ZDHHC20ZDHHC2GFPT1HCAR2KEAP1
SCHEMBL11529918 0.76 ZDHHC20 (0.66) ZDHHC20ZDHHC2GFPT1HCAR2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed