SCHEMBL8624608

SCHEMBL8624608

O=C(O)COc1cccc2c(CCS(=O)(=O)NCC(c3ccccc3)c3ccccc3)cccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGIR P43119 11/20 0.43
TBXA2R P21731 8/20 0.43
CASP1 P29466 2/20 0.43
ABCB1 P08183 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 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
SCHEMBL8625506 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL8625156 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1PTGIR
SCHEMBL8625004 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL8627845 0.80 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1PTGIR
SCHEMBL8623913 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1PTGIR
SCHEMBL8627326 0.77 MTNR1A (0.48) KDM4EALDH1A1HPGDTDP1
SCHEMBL693383 0.76 TDP1 (0.49) KDM4EALDH1A1HPGDTDP1PTGIR
SCHEMBL901768 0.75 TDP1 (0.47) KDM4EALDH1A1HPGDTDP1PTGIR
SCHEMBL8418748 0.75 KMT2A (0.53) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL8417285 0.75 KMT2A (0.53) KDM4EALDH1A1HPGDTDP1L3MBTL1

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