SCHEMBL5739016

SCHEMBL5739016

C=C(C)C(=O)OCCCCOC(=O)C(=C)C.C=COCCCCOC=C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
THRB P10828 1/20 0.48
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.37
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ATM Q13315 1/20 0.31
HCAR2 Q8TDS4 2/20 0.31
CDC25A P30304 1/20 0.31
NAAA Q02083 1/20 0.31
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL757355 1.00 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2688287 0.98 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18822943 0.98 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2689893 0.98 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18822989 0.98 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18822941 0.98 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL278570 0.96 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11096017 0.92 TSHR (0.77) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17785972 0.91 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2880688 0.88 THRB (0.57) TSHRTHRBPOLBAPEX1HTT

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
EP-1409119-B1 ASYMMETRIC GEL-FILLED MICROPOROUS MEMBRANES UNIV MCMASTER (CA) 2006-06-21 EP disclosed
US-6635104-B2 Gas separation device MCMASTER UNIVERSITY (CA) 2003-10-21 US disclosed
US-20020104439-A1 Gas separation device MCMASTER UNIVERSITY (CA) 2002-08-08 US disclosed