SCHEMBL28189010

SCHEMBL28189010

CCCOC(=O)CCC(=O)CCC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.52
DGKA P23743 1/20 0.48
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46
MAPT P10636 3/20 0.45
BLM P54132 1/20 0.45
ALDH1A1 P00352 5/20 0.42
DNM1 Q05193 1/20 0.40
TOP2A P11388 2/20 0.40
NAAA Q02083 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
GLA P06280 1/20 0.37
FAAH O00519 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL27438650 0.95 HTR2C (0.55) HTR2CDGKAADRA2AADRA1AMAPT
SCHEMBL20589 0.88 DGKA (0.58) HTR2CDGKAADRA2AADRA1AMAPT
SCHEMBL28189024 0.87 HTR2C (0.62) HTR2CDGKAADRA2AADRA1AMAPT
SCHEMBL28189008 0.87 DGKA (0.55) HTR2CDGKAMAPTALDH1A1DNM1
SCHEMBL28189011 0.86 HTR2C (0.52) HTR2CDGKAADRA2AADRA1AMAPT
SCHEMBL125157 0.85
SCHEMBL1604129 0.84 GAA (0.50) HTR2CDGKAMAPTALDH1A1LMNA
SCHEMBL31355082 0.83 ALDH1A1 (0.55) HTR2CDGKAADRA2AADRA1AMAPT
Ammonia Solution, Strong SCHEMBL28219689 0.83 ALDH1A1 (0.55) HTR2CDGKAADRA2AADRA1AMAPT
SCHEMBL27559727 0.83 ALDH1A1 (0.55) HTR2CDGKAADRA2AADRA1AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN claimed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN claimed
CN-107876092-B Application of titanium catalyst with cyclic structure as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange 华东理工大学 2023-01-10 CN disclosed
CN-107417719-B Application of titanium chelate as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange 华东理工大学 2022-11-25 CN disclosed
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN disclosed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN disclosed