SCHEMBL1753657

SCHEMBL1753657

C=C(C)C(=O)OOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
CES2 O00748 2/20 0.46
NAAA Q02083 1/20 0.42
THRB P10828 2/20 0.40
EPHX1 P07099 1/20 0.40
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
DGKA P23743 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HCAR2 Q8TDS4 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL8989603 1.00 TSHR (0.67) TSHRCES2NAAATHRBEPHX1
SCHEMBL15284836 1.00 TSHR (0.67) TSHRCES2NAAATHRBEPHX1
SCHEMBL28059477 1.00 TSHR (0.67) TSHRCES2NAAATHRBEPHX1
SCHEMBL28055228 0.98 TSHR (0.63) TSHRCES2NAAATHRBEPHX1
Phosphoric Acid SCHEMBL10797258 0.93 TSHR (0.59) TSHRCES2NAAATHRBEPHX1
Phosphoric Acid SCHEMBL10719083 0.93 TSHR (0.59) TSHRCES2NAAATHRBEPHX1
Phosphoric Acid SCHEMBL10716498 0.93 TSHR (0.59) TSHRCES2NAAATHRBEPHX1
SCHEMBL10517884 0.92 TSHR (0.55) TSHRCES2NAAATHRBDGKA
SCHEMBL2946008 0.92 TSHR (0.53) TSHRCES2NAAATHRBALDH1A1
SCHEMBL31616825 0.86 TSHR (0.59) TSHRCES2NAAATHRBEPHX1

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-8158728-B2 Methods and materials for fabricating microfluidic devices THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-04-17 US disclosed
US-20090281250-A1 METHODS AND MATERIALS FOR FABRICATING MICROFLUIDIC DEVICES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-11-12 US disclosed