SCHEMBL8623924

SCHEMBL8623924

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.41
CASP1 P29466 1/20 0.40
MTNR1A P48039 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
TBXA2R P21731 1/20 0.38
TBXAS1 P24557 1/20 0.38
NQO2 P16083 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 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
SCHEMBL8625020 1.00 GAA (0.51) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8623815 0.94 GAA (0.55) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8623814 0.94 GAA (0.55) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8622925 0.92 GAA (0.42) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8624280 0.92 GAA (0.42) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8624755 0.92 GAA (0.46) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8623518 0.92 GAA (0.46) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8624132 0.90 MTNR1A (0.42) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8624129 0.90 MTNR1A (0.42) GAAALDH1A1KDM4EHPGDTDP1
SCHEMBL8604212 0.89 GAA (0.47) GAAALDH1A1KDM4EHPGDTDP1

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 4 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
EP-0657422-A1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-14 EP disclosed