SCHEMBL8623133

SCHEMBL8623133

O=C(O)COc1cccc2c(CCNS(=O)(=O)C=C(c3ccccc3)c3ccccc3)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.40
MTNR1A P48039 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TBXA2R P21731 2/20 0.38
TBXAS1 P24557 1/20 0.38
ROCK2 O75116 1/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
ROCK1 Q13464 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
NQO2 P16083 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
PTGIR P43119 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
SCHEMBL8624768 0.94 PTGDR2 (0.42) TDP1KDM4EALDH1A1HPGDCASP1
SCHEMBL8624772 0.94 PTGDR2 (0.42) TDP1KDM4EALDH1A1HPGDCASP1
SCHEMBL8627472 0.94 KDM4E (0.43) TDP1KDM4EALDH1A1HPGDCASP1
SCHEMBL8599419 0.89 KDM4E (0.47) TDP1KDM4EALDH1A1HPGDCASP1
SCHEMBL8623924 0.83 GAA (0.51) TDP1KDM4EALDH1A1HPGDCASP1
SCHEMBL8625020 0.83 GAA (0.51) TDP1KDM4EALDH1A1HPGDCASP1
SCHEMBL8626537 0.82 ALDH1A1 (0.47) TDP1KDM4EALDH1A1HPGDTBXA2R
SCHEMBL8603602 0.80 ALDH1A1 (0.49) TDP1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL8625004 0.78 KDM4E (0.50) TDP1KDM4EALDH1A1HPGDCASP1
SCHEMBL8625156 0.78 KDM4E (0.50) TDP1KDM4EALDH1A1HPGDCASP1

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