SCHEMBL1547531

SCHEMBL1547531

C=C(C=CC(=O)O)C(=O)OCC.C=CC(=O)OCC(CC)CCCC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
CYP3A4 P08684 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
HCAR2 Q8TDS4 5/20 0.40
ALDH1A1 P00352 5/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 3/20 0.37
MAPK1 P28482 3/20 0.37
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
L3MBTL1 Q9Y468 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
Acrylic Acid Ethyl Ester SCHEMBL8181478 0.95 TSHR (0.64) TSHRCYP3A4TDP1ATMHCAR2
SCHEMBL3414119 0.92 TSHR (0.66) TSHRCYP3A4TDP1ATMHCAR2
SCHEMBL11359985 0.91 TSHR (0.64) TSHRCYP3A4TDP1ATMHCAR2
SCHEMBL6133308 0.91 TSHR (0.64) TSHRCYP3A4TDP1ATMHCAR2
SCHEMBL1780860 0.91 TSHR (0.67) TSHRCYP3A4TDP1ATMHCAR2
SCHEMBL7207107 0.90 TSHR (0.62) TSHRCYP3A4TDP1ATMHCAR2
Ethyl Fumarate SCHEMBL11211795 0.89 TSHR (0.76) TSHRCYP3A4TDP1ATMHCAR2
Ethyl Fumarate SCHEMBL11211796 0.89 TSHR (0.76) TSHRCYP3A4TDP1ATMHCAR2
Acrylic Acid SCHEMBL12231054 0.89 TSHR (0.59) TSHRCYP3A4TDP1ATMHCAR2
Acrylic Acid Ethyl Ester SCHEMBL11247076 0.88 TSHR (0.55) TSHRCYP3A4TDP1ATMHCAR2

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-8409884-B2 Process for producing organic electroluminescent panel NITTO DENKO CORPORATION (JP) 2013-04-02 US disclosed
US-20110124136-A1 PROCESS FOR PRODUCING ORGANIC ELECTROLUMINESCENT PANEL NITTO DENKO CORPORATION (JP) 2011-05-26 US disclosed
EP-2315500-A1 PROCESS FOR PRODUCING ORGANIC ELECTROLUMINESCENT PANEL Nitto Denko Corporation (JP) 2011-04-27 EP disclosed