SCHEMBL7212781

SCHEMBL7212781

C=CCOC(=O)CCCCC(=O)OCC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.76
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALOX15 P16050 2/20 0.49
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS2 P35354 1/20 0.47
PDE4D Q08499 1/20 0.47
GAA P10253 3/20 0.46
LMNA P02545 1/20 0.44
DGKA P23743 1/20 0.44
EPHX2 P34913 1/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP4F2 P78329 1/20 0.42

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
SCHEMBL3804106 0.92 TSHR (0.63) TSHRCYP1A2ALDH1A1TDP1ALOX15
SCHEMBL153651 0.89 TSHR (0.77) TSHRCYP1A2ALDH1A1TDP1CYP3A4
Allyl Hexanoate SCHEMBL21086 0.88 TSHR (0.96) TSHRALDH1A1TDP1CYP3A4GAA
Allyl Hexanoate SCHEMBL1869217 0.88 TSHR (0.96) TSHRALDH1A1TDP1CYP3A4GAA
SCHEMBL10834721 0.87 TSHR (0.81) TSHRALDH1A1TDP1ALOX15CYP3A4
SCHEMBL180289 0.87 TSHR (0.81) TSHRALDH1A1TDP1ALOX15CYP3A4
SCHEMBL11131759 0.87 TSHR (0.74) TSHRCYP1A2ALDH1A1TDP1CYP3A4
SCHEMBL3120781 0.87 TSHR (0.81) TSHRALDH1A1TDP1ALOX15CYP3A4
SCHEMBL5392962 0.87 TSHR (0.81) TSHRALDH1A1TDP1ALOX15CYP3A4
SCHEMBL11795597 0.87 TSHR (0.81) TSHRALDH1A1TDP1ALOX15CYP3A4

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-6621684-B2 Improved stability of electrochemical properties and improved retention of residual voltage, imparted by using an electrolytic solution containing a polymer MATSUSHITA ELECTRIC INSUSTRIAL CO. LTD. (JP) 2003-09-16 US disclosed
US-20020036884-A1 Electric double layer capacitor, electrolytic solution therefore and method for suppressing self-discharge in electronic component MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2002-03-28 US disclosed