SCHEMBL7527445

SCHEMBL7527445

C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C/C=C/C(=O)O)C(=O)OCCCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
HCAR2 Q8TDS4 3/20 0.50
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.40
NAAA Q02083 1/20 0.38
PTPN1 P18031 2/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL10347496 0.94 HCAR2 (0.55) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL121143 0.94 HCAR2 (0.55) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL9299634 0.94 HCAR2 (0.55) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL6060612 0.94 HCAR2 (0.55) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL3400634 0.94 TSHR (0.60) TSHRHCAR2POLBAPEX1HTT
SCHEMBL11356740 0.94 TSHR (0.56) TSHRHCAR2POLBAPEX1HTT
SCHEMBL7739132 0.93 TSHR (0.54) TSHRHCAR2POLBAPEX1HTT
SCHEMBL325215 0.93 HCAR2 (0.54) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL7527446 0.92 TSHR (0.55) TSHRHCAR2POLBAPEX1HTT
Methacrylic Acid SCHEMBL3406593 0.91 TSHR (0.57) TSHRHCAR2POLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058729-A1 Electrostatic ink jet ink and method of controlling electrostatic charges of color material in the ink MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2002-05-16 US disclosed