SCHEMBL20565843

SCHEMBL20565843

C=CC(=O)OOC(=O)c1ccccc1C(=O)OC(CC)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
TSHR P16473 5/20 0.37
CYP3A4 P08684 3/20 0.37
CA2 P00918 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB1 P08183 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 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
SCHEMBL21381468 0.85 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4CA2SCN1A
SCHEMBL27731324 0.82 ALDH1A1 (0.33) ALDH1A1TSHRCA2MAPK1LMNA
SCHEMBL1595729 0.82 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4CA2SCN1A
SCHEMBL20553866 0.81 CYP3A4 (0.38) ALDH1A1TSHRCYP3A4CA2SCN1A
SCHEMBL21381471 0.79 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4CA2SCN1A
SCHEMBL18783181 0.78 CYP3A4 (0.50) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL29965954 0.78 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4CA2ADRB2
SCHEMBL20553865 0.78 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4CA2ADRB2
SCHEMBL3168897 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4CA2TDP1
SCHEMBL1254075 0.76 TSHR (0.66) ALDH1A1TSHRCYP3A4TDP1L3MBTL1

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-20180342432-A1 SEMICONDUCTOR DEVICE AND METHOD OF MANUFACTURING THE DEVICE ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-11-29 US disclosed
CN-105121544-A Curable composition, and joint structure produced using same SEKISUI FULLER CO LTD 2015-12-02 CN disclosed
CN-1241950-C Polymerizable composition TOYO INK MFG CO (JP) 2006-02-15 CN disclosed
CN-1458938-A Polymerizable composition TOYO INK MFG CO (JP) 2003-11-26 CN disclosed