SCHEMBL8603602

SCHEMBL8603602

O=C(O)COc1cccc2c(NS(=O)(=O)C=C(c3ccccc3)c3ccccc3)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ROCK2 O75116 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
ROCK1 Q13464 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
DAPK1 P53355 1/20 0.38
PIM3 Q86V86 1/20 0.38
ACLY P53396 2/20 0.38

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
SCHEMBL8599419 0.82 KDM4E (0.47) ALDH1A1KDM4EHPGDTDP1ROCK2
SCHEMBL8626804 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDTDP1PTGDR2
SCHEMBL8600090 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDTDP1PTGDR2
SCHEMBL8623133 0.80 TDP1 (0.45) ALDH1A1KDM4EHPGDTDP1ROCK2
SCHEMBL8600099 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1PTGDR2
SCHEMBL8627472 0.78 KDM4E (0.43) ALDH1A1KDM4EHPGDTDP1ROCK2
SCHEMBL5493609 0.76 CASP1 (0.50) ALDH1A1KDM4EHPGDTDP1PTGDR2
SCHEMBL8624772 0.75 PTGDR2 (0.42) ALDH1A1KDM4EHPGDTDP1PTGDR2
SCHEMBL8624768 0.75 PTGDR2 (0.42) ALDH1A1KDM4EHPGDTDP1PTGDR2
SCHEMBL8601613 0.75 KDM4E (0.50) ALDH1A1KDM4EHPGDTDP1POLB

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 6 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-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US 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