SCHEMBL8626537

SCHEMBL8626537

O=C(O)COc1cccc2cc(CCNS(=O)(=O)C=C(c3ccccc3)c3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TBXA2R P21731 4/20 0.42
TBXAS1 P24557 3/20 0.42
DAPK1 P53355 1/20 0.40
PIM3 Q86V86 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
HTT P42858 1/20 0.38
OGG1 O15527 1/20 0.37
AKR1C3 P42330 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
GAA P10253 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
SCHEMBL8598843 0.90 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTDP1DAPK1
SCHEMBL8624943 0.84 GAA (0.47) ALDH1A1KDM4EHPGDTDP1TBXA2R
SCHEMBL8624947 0.84 GAA (0.47) ALDH1A1KDM4EHPGDTDP1TBXA2R
SCHEMBL8600099 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1DAPK1
SCHEMBL8623133 0.82 TDP1 (0.45) ALDH1A1KDM4EHPGDTDP1TBXA2R
SCHEMBL8627472 0.78 KDM4E (0.43) ALDH1A1KDM4EHPGDTDP1TBXA2R
SCHEMBL8624768 0.77 PTGDR2 (0.42) ALDH1A1KDM4EHPGDTDP1TBXA2R
SCHEMBL8624772 0.77 PTGDR2 (0.42) ALDH1A1KDM4EHPGDTDP1TBXA2R
SCHEMBL8599419 0.75 KDM4E (0.47) ALDH1A1KDM4EHPGDTDP1TBXA2R
SCHEMBL8623128 0.75 KDM4E (0.50) ALDH1A1KDM4EHPGDTDP1DAPK1

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