SCHEMBL8623967

SCHEMBL8623967

CN(C)C(=O)COc1cccc2c(CCNS(=O)(=O)C=Cc3ccccc3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
LTB4R Q15722 3/20 0.38
LTB4R2 Q9NPC1 3/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
NQO2 P16083 1/20 0.37
LMNA P02545 2/20 0.36
SLC2A1 P11166 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL8625020 0.89 GAA (0.51) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL8623924 0.89 GAA (0.51) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL8624755 0.87 GAA (0.46) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL8623518 0.87 GAA (0.46) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL8623108 0.84 GAA (0.43) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL8623112 0.84 GAA (0.43) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL8623814 0.83 GAA (0.55) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL8623815 0.83 GAA (0.55) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL8627477 0.83 GAA (0.46) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL8627479 0.83 GAA (0.46) GAAALDH1A1KMT2AMEN1POLB

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 5 patents. 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
EP-0657422-A1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-14 EP claimed
EP-0657422-B1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1998-06-10 EP disclosed
US-5624959-A INHIBITING UTERINE CONTRACTIONS, PROSTAGLANDIN ANTAGONIST OR AGONIST, ANALGESICS AND ANTISECRETORY AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0657422-A1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-14 EP disclosed