SCHEMBL4806885

SCHEMBL4806885

CCCOC(=O)CCC(=O)CCl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
DGKA P23743 1/20 0.45
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
MAPT P10636 3/20 0.42
BLM P54132 1/20 0.42
FAAH O00519 1/20 0.39
ALDH1A1 P00352 5/20 0.39
GLA P06280 1/20 0.39
TOP2A P11388 2/20 0.38
DNM1 Q05193 1/20 0.38
NAAA Q02083 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL4807593 0.88 HTR2C (0.59) HTR2CDGKAADRA2AADRA1AMAPT
SCHEMBL27438650 0.87 HTR2C (0.55) HTR2CDGKAADRA2AADRA1AMAPT
SCHEMBL20589 0.84 DGKA (0.58) HTR2CDGKAADRA2AADRA1AMAPT
SCHEMBL4811104 0.83 CYP1A2 (0.48) HTR2CFAAHALDH1A1LMNA
SCHEMBL28189010 0.83 HTR2C (0.52) HTR2CDGKAADRA2AADRA1AMAPT
SCHEMBL28189011 0.83 HTR2C (0.52) HTR2CDGKAADRA2AADRA1AMAPT
Chloroacetic Acid SCHEMBL19183448 0.82 HTR2C (0.61) HTR2CDGKAADRA2AADRA1AMAPT
SCHEMBL4640687 0.81 FAAH (0.47) DGKAFAAHALDH1A1GLATOP2A
SCHEMBL1363981 0.80
SCHEMBL139300 0.80

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