SCHEMBL8624772

SCHEMBL8624772

O=C(O)COc1cccc2c(CCNS(=O)(=O)C=C(c3ccccc3)c3ccc(Cl)cc3)cccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP1 P29466 1/20 0.37
TBXA2R P21731 3/20 0.36
TBXAS1 P24557 3/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 2/20 0.36
PPARG P37231 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.36
AKR1C3 P42330 1/20 0.35
TRPM4 Q8TD43 1/20 0.35
PTGIR P43119 1/20 0.35
G6PD P11413 1/20 0.35
SGMS1 Q86VZ5 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
SCHEMBL8624768 1.00 PTGDR2 (0.42) PTGDR2KDM4EALDH1A1HPGDTDP1
SCHEMBL8623133 0.94 TDP1 (0.45) PTGDR2KDM4EALDH1A1HPGDTDP1
SCHEMBL8627472 0.88 KDM4E (0.43) PTGDR2KDM4EALDH1A1HPGDTDP1
SCHEMBL8830126 0.86 AKR1C3 (0.35) TBXA2RTBXAS1MAPTMEN1KMT2A
SCHEMBL8599419 0.84 KDM4E (0.47) PTGDR2KDM4EALDH1A1HPGDTDP1
SCHEMBL8624280 0.83 GAA (0.42) PTGDR2KDM4EALDH1A1HPGDTDP1
SCHEMBL8622925 0.83 GAA (0.42) PTGDR2KDM4EALDH1A1HPGDTDP1
SCHEMBL8830124 0.82 AKR1C3 (0.37) ALDH1A1TBXA2RTBXAS1MAPTMEN1
SCHEMBL8625020 0.78 GAA (0.51) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8623924 0.78 GAA (0.51) KDM4EALDH1A1HPGDTDP1CASP1

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