SCHEMBL4530367

SCHEMBL4530367

C=C(CC=CC(=O)O)C(=O)OC.C=CC(=O)OCCO

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.51
HPGD P15428 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HCAR2 Q8TDS4 5/20 0.34
THRB P10828 2/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2897557 0.87 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL1486025 0.86 HCAR2 (0.45) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Methyl Ester SCHEMBL17956580 0.86 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Methyl Ester SCHEMBL1474305 0.86 HCAR2 (0.41) TSHRALDH1A1HSD17B10HCAR2
SCHEMBL8058643 0.85 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid Ethyl Ester SCHEMBL10579424 0.85 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL19409893 0.85 TSHR (0.38) TSHRHPGDALDH1A1HCAR2THRB
SCHEMBL6848771 0.85 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL8951871 0.84 ALOX15 (0.41) TSHRALDH1A1HSD17B10HCAR2
Acrylic Acid Ethyl Ester SCHEMBL17956576 0.84 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A

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-7630043-B2 Liquid display device and fabrication method thereof HITACHI DISPLAYS, LTD. (JP) 2009-12-08 US disclosed
US-20080018816-A1 LIQUID DISPLAY DEVICE AND FABRICATION METHOD THEREOF MAGNOLIA PURPLE CORPORATION (JP) 2008-01-24 US disclosed