SCHEMBL11909202

SCHEMBL11909202

C=CC(=O)NC(CN)(CCCC)CCCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
THRB P10828 7/20 0.38
THRA P10827 6/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FDPS P14324 2/20 0.35
TSHR P16473 4/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
DNM1 Q05193 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
SCHEMBL8766095 0.89 ZDHHC20 (0.48) ZDHHC20ZDHHC2THRBTHRAALDH1A1
SCHEMBL8966058 0.86 ZDHHC20 (0.46) ZDHHC20ZDHHC2THRBTHRAALDH1A1
SCHEMBL2768943 0.82 ALDH1A1 (0.38) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL27561622 0.81 ZDHHC20 (0.49) ZDHHC20ZDHHC2THRBTHRAALDH1A1
Hydrochloric Acid SCHEMBL11063305 0.80 ALDH1A1 (0.37) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL28445748 0.77 ZDHHC20 (0.49) ZDHHC20ZDHHC2THRBTHRAALDH1A1
SCHEMBL28005175 0.77 ALDH1A1 (0.40) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL8765940 0.77 MEN1 (0.50) ZDHHC20ZDHHC2THRBTHRAALDH1A1
SCHEMBL14816472 0.76 ZDHHC20 (0.47) ZDHHC20ZDHHC2THRBTHRAALDH1A1
SCHEMBL11909978 0.76 FDPS (0.39) THRBTHRAALDH1A1FDPSTSHR

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-20120207992-A1 PRODUCTION METHOD OF ANTIREFLECTION FILM, ANTIREFLECTION FILM AND COATING COMPOSITION FUJIFILM CORPORATION (JP) 2012-08-16 US disclosed