SCHEMBL8623112

SCHEMBL8623112

O=C(COc1cccc2c(CCNS(=O)(=O)C=Cc3ccccc3)cccc12)NCCO

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ESR1 P03372 1/20 0.36
YWHAB P31946 1/20 0.36
PDK1 Q15118 1/20 0.36
TSHR P16473 1/20 0.36
SGMS1 Q86VZ5 1/20 0.36

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
SCHEMBL8623108 1.00 GAA (0.43) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL8623924 0.88 GAA (0.51) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL8625020 0.88 GAA (0.51) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL8624755 0.86 GAA (0.46) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL8623518 0.86 GAA (0.46) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL8627477 0.86 GAA (0.46) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL8627479 0.86 GAA (0.46) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL8623967 0.84 GAA (0.44) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL8623814 0.82 GAA (0.55) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL8623815 0.82 GAA (0.55) GAAMAPTALDH1A1KMT2AMEN1

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