SCHEMBL8627445

SCHEMBL8627445

NC(=O)COc1ccc2c(CCNS(=O)(=O)C=Cc3ccccc3)cccc2c1CCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 5/20 0.37
POLB P06746 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.33
PSMD14 O00487 1/20 0.33
MMP2 P08253 1/20 0.33
BLM P54132 1/20 0.33
HTT P42858 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTNR1A P48039 1/20 0.32
NQO2 P16083 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
SCHEMBL8623518 0.88 GAA (0.46) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL8624755 0.88 GAA (0.46) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL8623924 0.80 GAA (0.51) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL8625020 0.80 GAA (0.51) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL8623112 0.79 GAA (0.43) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL8623108 0.79 GAA (0.43) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL8627477 0.78 GAA (0.46) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL8627479 0.78 GAA (0.46) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL8623967 0.78 GAA (0.44) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL8623814 0.74 GAA (0.55) GAAALDH1A1POLBMEN1KMT2A

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
EP-0657422-B1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1998-06-10 EP claimed