SCHEMBL8623636

SCHEMBL8623636

O=C(O)COc1cccc2c(CCNS(=O)(=O)CC(c3ccccc3)C3CCCCC3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MTNR1A P48039 4/20 0.38
CASP1 P29466 1/20 0.37
PTGIR P43119 7/20 0.37
TBXA2R P21731 5/20 0.36
MTNR1B P49286 2/20 0.36
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL8830018 0.88 MEN1 (0.39) ALDH1A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL8625156 0.86 KDM4E (0.50) ALDH1A1KDM4EHPGDTDP1MTNR1A
SCHEMBL8830016 0.83 KMT2A (0.40) ALDH1A1KDM4EMEN1KMT2AMTNR1A
SCHEMBL8623913 0.82 KDM4E (0.46) ALDH1A1KDM4EHPGDTDP1PTGDR2
SCHEMBL8627326 0.79 MTNR1A (0.48) ALDH1A1KDM4EHPGDTDP1MTNR1A
SCHEMBL8625004 0.76 KDM4E (0.50) ALDH1A1KDM4EHPGDTDP1MTNR1A
SCHEMBL8602034 0.75 KMT2A (0.41) ALDH1A1MEN1KMT2AADAMTS4ADAMTS5
SCHEMBL8625506 0.74 KDM4E (0.50) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL8624608 0.73 KDM4E (0.46) ALDH1A1KDM4EHPGDTDP1CASP1
SCHEMBL7958710 0.72 PTGIR (0.64) ALDH1A1KDM4EHPGDTDP1MTNR1A

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
CN-1111612-A Naphthyloxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-11-15 CN 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