SCHEMBL8626753

SCHEMBL8626753

O=C(O)C(=O)c1cccc2c1CCCC2CCNS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TBXA2R P21731 1/20 0.39
HSP90AA1 P07900 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
FKBP1A P62942 4/20 0.38
SIGMAR1 Q99720 3/20 0.36
PTGIR P43119 3/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 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
SCHEMBL8626475 0.82 PTGIR (0.57) GAASIGMAR1PTGIRALDH1A1MAPT
SCHEMBL8626228 0.82 PTGIR (0.57) GAASIGMAR1PTGIRALDH1A1MAPT
SCHEMBL8626755 0.81 PTGIR (0.42) GAATBXA2RSIGMAR1PTGIRALDH1A1
SCHEMBL9048482 0.70 PTGIR (0.48) SIGMAR1PTGIR
SCHEMBL9427205 0.70 PTGIR (0.69) SIGMAR1PTGIR
SCHEMBL9048207 0.70 PTGIR (0.46) GAASIGMAR1PTGIRALDH1A1
SCHEMBL9427485 0.69 PTGIR (0.45) SIGMAR1PTGIR
SCHEMBL9048041 0.69 PTGIR (0.47) SIGMAR1PTGIR
SCHEMBL9048014 0.69 PTGIR (0.43) SIGMAR1PTGIRALDH1A1
SCHEMBL9048344 0.69 PTGIR (0.45) GAASIGMAR1PTGIRALDH1A1

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 2 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