SCHEMBL8633766

SCHEMBL8633766

CCOC(OCC)(C(=O)c1ccccc1)c1ccccc1.CCOC(OCC)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.53
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SRC P12931 1/20 0.36
LMNA P02545 2/20 0.35
PRSS1 P07477 2/20 0.35
CTSG P08311 2/20 0.35
CTRB1 P17538 2/20 0.35
CMA1 P23946 2/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
MDM2 Q00987 1/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL2351245 0.89 CES1 (0.69) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL9065321 0.88 CES1 (0.66) CES1NPC1MEN1KMT2ASRC
SCHEMBL36702 0.88 CES1 (0.66) CES1NPC1MEN1KMT2ASRC
SCHEMBL608102 0.82 CES1 (0.78) CES1NPC1MEN1KMT2ASRC
Acetophenone SCHEMBL27649666 0.82 CES1 (0.58) CES1NPC1MEN1KMT2ASRC
SCHEMBL57444 0.82 PGR (0.44) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL5168028 0.82 PGR (0.52) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL23238 0.82 PGR (0.52) CES1PGRADRA2AADRA2BHTR2A
SCHEMBL5598169 0.81 CES1 (0.75) CES1NPC1MEN1KMT2ASRC
Benzene SCHEMBL28162079 0.80 PGR (0.50) CES1PGRADRA2AADRA2BHTR2A

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
WO-1997039880-A9 METHODS AND APPARATUS FOR EYEGLASS LENS CURING USING ULTRAVIOLET LIGHT AND IMPROVED COOLING 1998-01-15 WO disclosed