SCHEMBL8600099

SCHEMBL8600099

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
DAPK1 P53355 1/20 0.47
PIM3 Q86V86 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OGG1 O15527 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
TRPM4 Q8TD43 1/20 0.39
MAPT P10636 1/20 0.39
AKR1C3 P42330 1/20 0.38
G6PD P11413 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTDP1DAPK1
SCHEMBL8626276 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1DAPK1
SCHEMBL8604312 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1DAPK1
SCHEMBL8626537 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1DAPK1
SCHEMBL8603602 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTDP1DAPK1
SCHEMBL8623128 0.78 KDM4E (0.50) ALDH1A1KDM4EHPGDTDP1DAPK1
SCHEMBL8599419 0.74 KDM4E (0.47) ALDH1A1KDM4EHPGDTDP1DAPK1
SCHEMBL8623133 0.72 TDP1 (0.45) ALDH1A1KDM4EHPGDTDP1DAPK1
SCHEMBL6564724 0.71 KDM4E (0.67) ALDH1A1KDM4EHPGDTDP1DAPK1
SCHEMBL8627472 0.71 KDM4E (0.43) 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 6 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-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US 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