SCHEMBL9979665

SCHEMBL9979665

C=C(COc1ccccc1C=O)COc1ccccc1C=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.69
ALDH1A1 P00352 8/20 0.66
HPGD P15428 1/20 0.66
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
SRC P12931 2/20 0.49
KMT2A Q03164 6/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 3/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MEN1 O00255 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL6108015 0.90 PTGDR2 (0.61) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2561249 0.86 PTGDR2 (0.65) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL8389278 0.86 PTGDR2 (0.65) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2560503 0.86 PTGDR2 (0.65) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2187687 0.83 PTGDR2 (0.66) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL354835 0.81 PTGDR2 (1.00) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL9695894 0.80 PTGDR2 (0.72) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1752352 0.80 PTGDR2 (0.72) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL31428467 0.80 PTGDR2 (0.72) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1287954 0.80 PTGDR2 (0.72) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716153-B1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2013-10-09 EP disclosed
US-20120157658-A1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2012-06-21 US disclosed
US-8053571-B2 Methods, compositions, and apparatuses for forming macrocyclic compounds JOHNSON THOMAS E 2011-11-08 US disclosed
US-20100216970-A1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E 2010-08-26 US disclosed
US-7709632-B2 such as porphyrins, chlorins, texaphyrins via cyclization, oligomerization JOHNSON THOMAS E 2010-05-04 US disclosed
US-20070217965-A1 Methods, compositions, and apparatuses for forming macrocyclic compounds JOHNSON THOMAS E 2007-09-20 US disclosed