SCHEMBL8627845

SCHEMBL8627845

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGIR P43119 8/20 0.45
TBXA2R P21731 6/20 0.45
FABP4 P15090 5/20 0.43
ACLY P53396 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL8604566 0.83 NSD2 (0.59) KDM4EALDH1A1HPGDTDP1FABP4
SCHEMBL8624405 0.81 NSD2 (0.60) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL8624608 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1PTGIR
SCHEMBL8623938 0.78 ALDH1A1 (0.61) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL8625156 0.76 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1PTGIR
SCHEMBL8602989 0.73 PTGIR (0.42) KDM4EALDH1A1HPGDTDP1PTGIR
SCHEMBL9512068 0.73 TBXA2R (0.63) ALDH1A1TDP1TBXA2R
SCHEMBL8420341 0.72 ALDH1A1 (0.57) KDM4EALDH1A1HPGDTDP1PTGIR
SCHEMBL8623913 0.70 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1PTGIR
Naphthyloxyacetic Acid SCHEMBL6820182 0.70 KDM4E (0.96) KDM4EALDH1A1HPGDTDP1

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