SCHEMBL6536304

SCHEMBL6536304

N#COc1ccccc1C=CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
PTGER4 P35408 3/20 0.54
PTGER3 P43115 3/20 0.54
PTGER2 P43116 3/20 0.54
PTGER1 P34995 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
NFKB1 P19838 1/20 0.51
CA4 P22748 1/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
NFE2L2 Q16236 2/20 0.47
TFEB P19484 1/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL7150272 0.84 AR (0.55) HTTMAPTLMNANFE2L2TFEB
SCHEMBL28708188 0.80 MIF (0.54) HTTPTGER4PTGER3PTGER2PTGER1
Coumarinic Acid Methyl Ether SCHEMBL5277765 0.80 NFE2L2 (0.64) HTTGAASMN1; SMN2MAPTLMNA
SCHEMBL8651474 0.79 HTT (0.74) HTTPTGER4PTGER3PTGER2PTGER1
SCHEMBL8651473 0.79 HTT (0.74) HTTPTGER4PTGER3PTGER2PTGER1
SCHEMBL10614570 0.77 NFE2L2 (0.59) NFE2L2
Coumarinic Acid Methyl Ether SCHEMBL714857 0.77 NFE2L2 (0.77) HTTGAASMN1; SMN2MAPTLMNA
Coumarinic Acid Methyl Ether SCHEMBL79060 0.77 NFE2L2 (0.77) HTTGAASMN1; SMN2MAPTLMNA
Coumarinic Acid Methyl Ether SCHEMBL83064 0.77 NFE2L2 (0.77) HTTGAASMN1; SMN2MAPTLMNA
Coumarinic Acid Methyl Ether SCHEMBL29369917 0.77 NFE2L2 (0.77) HTTGAASMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377837-A4 ARRAY-BASED BIOMOLECULE ANALYSIS PROTEOME SYSTEMS LTD (AU) 2004-04-14 EP disclosed
EP-1377837-A1 ARRAY-BASED BIOMOLECULE ANALYSIS Proteome Systems Ltd. (AU) 2004-01-07 EP disclosed
WO-2002075321-A1 ARRAY-BASED BIOMOLECULE ANALYSIS PROTEOME SYSTEMS LTD (AU) 2002-09-26 WO disclosed