SCHEMBL1491880

SCHEMBL1491880

C=C(C)C(=O)OCCC(CCCCC)C(C)(C)N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THRB P10828 1/20 0.41
FDPS P14324 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31

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
SCHEMBL3694457 0.99 TSHR (0.58) TSHRTHRBFDPSZDHHC7POLB
SCHEMBL22318914 0.99 TSHR (0.58) TSHRTHRBFDPSZDHHC7POLB
Hydrochloric Acid SCHEMBL10883860 0.97 TSHR (0.56) TSHRTHRBFDPSZDHHC7POLB
Bromide SCHEMBL28903015 0.97 TSHR (0.56) TSHRTHRBFDPSZDHHC7POLB
Bromide SCHEMBL3698125 0.97 TSHR (0.56) TSHRTHRBFDPSZDHHC7POLB
SCHEMBL16408811 0.90 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11097569 0.87 TSHR (0.58) TSHRTHRBFDPSZDHHC7POLB
SCHEMBL10883886 0.85 THRB (0.46) TSHRTHRBPOLBAPEX1HTT
Bromide SCHEMBL10881954 0.84 THRB (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28294714 0.81 TSHR (0.66) TSHRTHRBFDPSZDHHC7POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715392-B2 Catalyzed CO2-transport membrane on high surface area inorganic support BATTELLE MEMORIAL INSTITUTE (US) 2014-05-06 US disclosed
WO-2011059616-A1 CATALYZED CO2-TRANSPORT MEMBRANE ON HIGH SURFACE AREA INORGANIC SUPPORT BATTELLE MEMORIAL INSTITUTE (US) 2011-05-19 WO disclosed
US-20110052466-A1 CATALYZED CO2-TRANSPORT MEMBRANE ON HIGH SURFACE AREA INORGANIC SUPPORT BATTELLE MEMORIAL INSTITUTE 2011-03-03 US disclosed