SCHEMBL13046360

SCHEMBL13046360

C=C(C)C(=O)OCCCC(C)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
THRB P10828 1/20 0.51
TDP1 Q9NUW8 5/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 8/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL15064928 0.90 TSHR (0.53) TSHRTHRBTDP1POLBAPEX1
SCHEMBL2522937 0.85 TSHR (0.61) TSHRTHRBTDP1POLBAPEX1
SCHEMBL26980340 0.83 TSHR (0.53) TSHRTHRBTDP1POLBAPEX1
SCHEMBL27506587 0.82 TSHR (0.53) TSHRTHRBTDP1POLBAPEX1
SCHEMBL12257047 0.82 TSHR (0.62) TSHRTHRBTDP1POLBAPEX1
SCHEMBL383961 0.80 TSHR (0.59) TSHRTHRBTDP1POLBAPEX1
SCHEMBL10000877 0.80 TSHR (0.50) TSHRTHRBTDP1POLBAPEX1
SCHEMBL2622701 0.79 TSHR (0.58) TSHRTHRBTDP1POLBAPEX1
SCHEMBL18265606 0.79 TSHR (0.58) TSHRTHRBTDP1POLBAPEX1
SCHEMBL12793081 0.79 TSHR (0.62) TSHRTHRBTDP1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877871-B2 Organic switching element and method for producing the same KYUSHU UNIVERSITY (JP) 2014-11-04 US disclosed
US-20100289012-A1 ORGANIC SWITCHING ELEMENT AND METHOD FOR PRODUCING THE SAME KYUSHU UNIVERSITY (JP) 2010-11-18 US disclosed
US-20080176146-A1 Photosensitive Composition Containing Organic Fine Particles NATIONAL UNIVERSITY CORPORATION THE UNIVERSITY OF ELECTRO-COMMUNICATIONS (JP) 2008-07-24 US disclosed
US-20080139692-A1 Hyperbranched Polymer and Production Method Thereof TOKYO INSTITUTE OF TECHNOLOGY (JP) 2008-06-12 US disclosed