SCHEMBL20362145

SCHEMBL20362145

O=C(CCCCCCCBr)OC(=O)CN1C(=O)C=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
PTGS1 P23219 8/20 0.44
PTGS2 P35354 8/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
BLM P54132 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
WRN Q14191 1/20 0.41
HIF1A Q16665 1/20 0.41
MGLL Q99685 6/20 0.37
FAAH O00519 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL2499154 0.80 PTGS1 (0.68) GSK3AGSK3BPTGS1PTGS2ALDH1A1
SCHEMBL20362146 0.79 PTGS1 (0.62) GSK3AGSK3BPTGS1PTGS2ALDH1A1
SCHEMBL28038312 0.78 PTGS1 (0.66) GSK3AGSK3BPTGS1PTGS2ALDH1A1
SCHEMBL6887378 0.76 ALDH1A1 (0.43) ALDH1A1FAAHLMNAMAPTMAPK1
SCHEMBL19863302 0.76 ALDH1A1 (0.43) ALDH1A1FAAHLMNAMAPTMAPK1
SCHEMBL2495523 0.75 MGLL (0.58) GSK3AGSK3BPTGS1PTGS2ALDH1A1
SCHEMBL16579831 0.74 PTGS1 (0.60) GSK3AGSK3BPTGS1PTGS2ALDH1A1
SCHEMBL14938147 0.74 ALDH1A1 (0.46) ALDH1A1FAAHLMNAMAPTMAPK1
SCHEMBL8197865 0.73 PTGS1 (0.69) GSK3AGSK3BPTGS1PTGS2ALDH1A1
SCHEMBL22372519 0.73 PTGS1 (0.73) GSK3AGSK3BPTGS1PTGS2ALDH1A1

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
WO-2018129203-A2 METHOD FOR TEMPORAL AND TISSUE-SPECIFIC DRUG DELIVERY AND INDUCED NUCLEIC ACID RECOMBINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-12 WO disclosed