SCHEMBL8626804

SCHEMBL8626804

O=C(O)COc1cccc2c(NS(=O)(=O)/C=C/c3ccccc3)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HPGD P15428 1/20 0.49
PTGES2 Q9H7Z7 3/20 0.47
MAPT P10636 2/20 0.45
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
RRM1 P23921 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL8600090 1.00 ALDH1A1 (0.55) ALDH1A1HTTKDM4ETDP1HPGD
SCHEMBL8604212 0.82 GAA (0.47) ALDH1A1HTTKDM4ETDP1HPGD
SCHEMBL8603602 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1HPGDKMT2A
SCHEMBL8623924 0.80 GAA (0.51) ALDH1A1HTTKDM4ETDP1HPGD
SCHEMBL8604312 0.80 ALDH1A1 (0.51) ALDH1A1HTTKDM4ETDP1HPGD
SCHEMBL8625020 0.80 GAA (0.51) ALDH1A1HTTKDM4ETDP1HPGD
SCHEMBL8626276 0.80 ALDH1A1 (0.51) ALDH1A1HTTKDM4ETDP1HPGD
SCHEMBL8623814 0.78 GAA (0.55) ALDH1A1HTTKDM4ETDP1HPGD
SCHEMBL8623815 0.78 GAA (0.55) ALDH1A1HTTKDM4ETDP1HPGD
SCHEMBL5493609 0.76 CASP1 (0.50) ALDH1A1KDM4ETDP1HPGDPOLB

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