SCHEMBL5200822

SCHEMBL5200822

CCCCC(OCCC)C(=O)OCCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
CA1 P00915 2/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 3/20 0.37
ATM Q13315 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC2 Q92769 1/20 0.37
MAPK1 P28482 1/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 1/20 0.34
HCAR2 Q8TDS4 1/20 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
SCHEMBL5199730 0.88 ALDH1A1 (0.48) CA2CA1ALDH1A1TSHRATM
SCHEMBL5199437 0.88 HDAC2 (0.37) CA2CA1ALDH1A1TSHRCYP3A4
SCHEMBL6264997 0.87 ZDHHC7 (0.43) CA2ALDH1A1NAAADGKAZDHHC7
SCHEMBL27625744 0.86 ALDH1A1 (0.42) CA2CA1ALDH1A1TSHRATM
SCHEMBL27437393 0.84 CA2 (0.46) CA2CA1ALDH1A1TSHRATM
SCHEMBL4292536 0.83 ACHE (0.40) CA2CA1ALDH1A1TSHRATM
SCHEMBL445106 0.82 CA2 (0.47) CA2CA1TDP1HDAC2MAPK1
SCHEMBL5199605 0.81 HCAR2 (0.38) CA2CA1ALDH1A1TSHRATM
SCHEMBL27780734 0.81 NAAA (0.50) ALDH1A1TSHRNAAAZDHHC7MAPT
SCHEMBL27780513 0.81 NAAA (0.50) ALDH1A1TSHRNAAAZDHHC7MAPT

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
EP-1778804-A1 SINGLE-COMPONENT SYSTEM BASED ON CO-REACTIVE LATEX, PREPARATION METHOD AND USE IN THE FIELD OF FORMOL-FREE COATINGS Arkema France (FR) 2007-05-02 EP disclosed
WO-2006010804-A1 SINGLE-COMPONENT SYSTEM BASED ON CO-REACTIVE LATEX, PREPARATION METHOD AND USE IN THE FIELD OF FORMOL-FREE COATINGS ARKEMA FRANCE (FR) 2006-02-02 WO disclosed