SCHEMBL28344355

SCHEMBL28344355

CCOc1cc(C)c(O)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
ESR1 P03372 1/20 0.43
LMNA P02545 3/20 0.42
ACHE P22303 1/20 0.41
PKM P14618 2/20 0.41
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
CHRNA4 P43681 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
BLM P54132 1/20 0.40

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
Methylamine SCHEMBL11339729 0.96 ADRA1D (0.48) ADRA1DADRA1AADRA1BESR1LMNA
Dimethylamine SCHEMBL11221773 0.95 ADRA1D (0.44) ADRA1DADRA1AADRA1BESR1LMNA
SCHEMBL18272003 0.88 ADRA1D (0.50) ADRA1DADRA1AADRA1BESR1LMNA
SCHEMBL16748338 0.86 ADRA1A (0.48) ADRA1DADRA1AADRA1BLMNAACHE
SCHEMBL2625747 0.84 LMNA (0.47) ADRA1DADRA1AADRA1BLMNAPKM
SCHEMBL10671728 0.83 ADRA1D (0.49) ADRA1DADRA1AADRA1BESR1LMNA
SCHEMBL10641890 0.83 ADRA1D (0.49) ADRA1DADRA1AADRA1BESR1LMNA
SCHEMBL10706857 0.82 ADRA1D (0.48) ADRA1DADRA1AADRA1BESR1LMNA
SCHEMBL8961537 0.80 ADRA1D (0.47) ADRA1DADRA1AADRA1BLMNAACHE
SCHEMBL5207072 0.80 ADRA1D (0.65) ADRA1DADRA1AADRA1BESR1LMNA

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-110604762-A Traditional Chinese medicine composition for treating kidney-type infectious bronchitis of poultry and preparation method thereof 临沂金翠兽药有限公司 2019-12-24 CN disclosed