SCHEMBL11529282

SCHEMBL11529282

CCCCCNC(=O)C=CC(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.63
ZDHHC2 Q9UIJ5 3/20 0.63
EPHX1 P07099 6/20 0.53
HTR1A P08908 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
EGFR P00533 1/20 0.50
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
GFPT1 Q06210 1/20 0.47
APP P05067 1/20 0.47
CASP2 P42575 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL11529276 1.00 ZDHHC20 (0.63) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
SCHEMBL11529036 0.98 ZDHHC20 (0.66) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
SCHEMBL11529044 0.98 ZDHHC20 (0.66) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
SCHEMBL11530895 0.98 ZDHHC20 (0.66) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
SCHEMBL11527605 0.98 ZDHHC20 (0.66) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
SCHEMBL11527610 0.98 ZDHHC20 (0.66) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
SCHEMBL11529911 0.98 ZDHHC20 (0.66) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
SCHEMBL11530889 0.98 ZDHHC20 (0.66) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
SCHEMBL11529918 0.98 ZDHHC20 (0.66) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C
SCHEMBL1831126 0.94 ZDHHC20 (0.56) ZDHHC20ZDHHC2EPHX1HTR1AHTR2C

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-4154707-A VINYLENEDICARBONYL COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-05-15 US disclosed