SCHEMBL8624758

SCHEMBL8624758

NC(c1ccc2c(OCC(=O)O)cccc2c1)S(=O)(=O)/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.42
OGG1 O15527 1/20 0.39
PTPN7 P35236 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
LMNA P02545 1/20 0.36
MCL1 Q07820 2/20 0.36
DAPK1 P53355 1/20 0.35
PIM3 Q86V86 1/20 0.35
POLB P06746 2/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 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
SCHEMBL8623128 0.83 KDM4E (0.50) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL8627849 0.83 PTPN7 (0.53) ALDH1A1PTPN7MEN1KMT2ALMNA
SCHEMBL8628377 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL8604312 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL8626276 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL8602035 0.76 KDM4E (0.49) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL8624943 0.75 GAA (0.47) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL8624947 0.75 GAA (0.47) ALDH1A1KDM4EHPGDTDP1MAPT
Naphthyloxyacetic Acid SCHEMBL120838 0.69 KDM4E (1.00) ALDH1A1KDM4EHPGDTDP1MAPT
Naphthyloxyacetic Acid SCHEMBL29364154 0.69 KDM4E (1.00) ALDH1A1KDM4EHPGDTDP1MAPT

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