SCHEMBL8627472

SCHEMBL8627472

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
PTGIR P43119 4/20 0.37
TBXA2R P21731 2/20 0.37
ROCK2 O75116 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
ROCK1 Q13464 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
MTNR1A P48039 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SLC2A1 P11166 1/20 0.35
DAPK1 P53355 1/20 0.35

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
SCHEMBL8623133 0.94 TDP1 (0.45) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8624772 0.88 PTGDR2 (0.42) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8624768 0.88 PTGDR2 (0.42) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8599419 0.87 KDM4E (0.47) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8623815 0.84 GAA (0.55) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8623814 0.84 GAA (0.55) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8603602 0.78 ALDH1A1 (0.49) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL8626537 0.78 ALDH1A1 (0.47) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL8623924 0.77 GAA (0.51) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8625020 0.77 GAA (0.51) KDM4EALDH1A1HPGDTDP1CASP1

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