SCHEMBL28385696

SCHEMBL28385696

CCCCOC(C)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 2/20 0.45
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PLA2G4B P0C869 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
GBA1 P04062 1/20 0.43

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
SCHEMBL11345805 0.94 TSHR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL21483689 0.85 KMT2A (0.43) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11698031 0.85 LMNA (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL131571 0.85 LMNA (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL5711602 0.83 PLA2G4B (0.48) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL25419167 0.83 PGR (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL9223639 0.82 PGR (0.53) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL16221406 0.82 KMT2A (0.55) LMNAL3MBTL1PLA2G4BMEN1KMT2A
SCHEMBL9005002 0.82 LMNA (0.45) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL29549835 0.82 LMNA (0.45) PGRADRA2AADRA2BHTR2AHRH1

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-107417643-B Synthesis process of dyclonine hydrochloride 贵州神奇药业有限公司 2020-05-01 CN disclosed