SCHEMBL8624947

SCHEMBL8624947

O=C(O)COc1cccc2cc(CCNS(=O)(=O)C=Cc3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.42
TBXA2R P21731 1/20 0.42
TBXAS1 P24557 1/20 0.42
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
OGG1 O15527 1/20 0.37
DAPK1 P53355 1/20 0.36
PIM3 Q86V86 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36

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
SCHEMBL8624943 1.00 GAA (0.47) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8602035 0.90 KDM4E (0.49) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8626537 0.84 ALDH1A1 (0.47) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8626276 0.82 ALDH1A1 (0.51) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8604312 0.82 ALDH1A1 (0.51) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8623924 0.82 GAA (0.51) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8625020 0.82 GAA (0.51) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL11363464 0.80 TBXA2R (0.65) GAATBXA2RTBXAS1POLBLMNA
SCHEMBL11363915 0.80 TBXA2R (0.65) GAATBXA2RTBXAS1POLBLMNA
SCHEMBL8623814 0.78 GAA (0.55) GAAALDH1A1KDM4EHPGDTDP1

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
CN-1111612-A Naphthyloxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-11-15 CN 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