SCHEMBL28530459

SCHEMBL28530459

CCCCCC(CCC)c1cc(O)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESR1 P03372 3/20 0.40
NAAA Q02083 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37

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
SCHEMBL9513205 0.97 TYR (0.46) TYRHTTTP53CYP3A4MEN1
SCHEMBL11036500 0.95 TYR (0.45) TYRHTTTP53CYP3A4MEN1
SCHEMBL11038944 0.91 TYR (0.46) TYRHTTTP53CYP3A4MEN1
SCHEMBL8372546 0.86 TYR (0.42) TYRHTTTP53CYP3A4MEN1
SCHEMBL7755498 0.85 PDE5A (0.42) TYRHTTTP53MAPTALOX15
SCHEMBL10900128 0.85 TYR (0.43) TYRHTTTP53CYP3A4MEN1
SCHEMBL11158917 0.81 TYR (0.49) TYRHTTTP53CYP3A4MEN1
SCHEMBL8861378 0.81 TYR (0.45) TYRHTTTP53CYP3A4MEN1
SCHEMBL11095669 0.80 TYR (0.47) TYRHTTTP53CYP3A4MEN1
SCHEMBL419569 0.80 TYR (0.47) TYRHTTTP53CYP3A4MEN1

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
CN-112263542-A Desonide nanoemulsion gel composition and preparation method thereof 澳美制药厂有限公司 2021-01-26 CN claimed