SCHEMBL4807593

SCHEMBL4807593

CCCCOC(=O)CCC(=O)CCl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.59
ALDH1A1 P00352 2/20 0.52
DGKA P23743 1/20 0.52
NAAA Q02083 1/20 0.47
FAAH O00519 2/20 0.44
ATM Q13315 1/20 0.44
DNM1 Q05193 1/20 0.43
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.40
EPHX2 P34913 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL4806885 0.88 HTR2C (0.49) HTR2CALDH1A1DGKANAAAFAAH
Dibutylsuccinate SCHEMBL3977806 0.85 DGKA (0.67) HTR2CALDH1A1DGKANAAAFAAH
Dibutylsuccinate SCHEMBL50411 0.85 DGKA (0.67) HTR2CALDH1A1DGKANAAAFAAH
SCHEMBL28189024 0.84 HTR2C (0.62) HTR2CALDH1A1DGKANAAAFAAH
SCHEMBL3954254 0.84 HTR2C (0.62) HTR2CALDH1A1DGKANAAAFAAH
Dibutylsuccinate SCHEMBL28277030 0.83 DGKA (0.64) HTR2CALDH1A1DGKANAAAFAAH
Dibutylsuccinate SCHEMBL9615167 0.83 DGKA (0.64) HTR2CALDH1A1DGKANAAAFAAH
Dibutylsuccinate SCHEMBL3977799 0.83 DGKA (0.64) HTR2CALDH1A1DGKANAAAFAAH
Dibutylsuccinate SCHEMBL31025204 0.83 DGKA (0.64) HTR2CALDH1A1DGKANAAAFAAH
Dibutylsuccinate SCHEMBL28136841 0.83 DGKA (0.64) HTR2CALDH1A1DGKANAAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7339073-B2 Method for obtaining 5-halogenolaevulinic acid alkyl esters ALDENKORTT SVEN 2008-03-04 US disclosed
US-20050070727-A1 Method for obtaining 5-halogenolaevulinic acid alkyl esters ALDENKORTT DR SVEN (DE) 2005-03-31 US disclosed