SCHEMBL7486306

SCHEMBL7486306

CCCCCCC(CC(=O)O)C(=O)c1ccc2c(c1)ONC(=O)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.49
MMP9 P14780 2/20 0.49
MMP12 P39900 2/20 0.49
MMP3 P08254 8/20 0.35
MMP1 P03956 6/20 0.35
GPR84 Q9NQS5 4/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP7 P09237 1/20 0.33

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
SCHEMBL7344022 0.92 MMP2 (0.49) MMP2MMP9MMP12MMP3MMP1
SCHEMBL7491884 0.87 MMP2 (0.43) MMP2MMP9MMP12
SCHEMBL7343586 0.80 TDP2 (0.34) ALDH1A1
SCHEMBL7486299 0.78 MMP2 (0.49) MMP2MMP9MMP12ALDH1A1
SCHEMBL7349021 0.76 MMP2 (0.50) MMP2MMP9MMP12MMP3MMP1
SCHEMBL7344018 0.76 ALDH1A1 (0.56) MMP2MMP9MMP12ALDH1A1
SCHEMBL7349674 0.73 MMP2 (0.48) MMP2MMP9MMP12MMP3MMP1
SCHEMBL7348992 0.72 ATM (0.50) ALDH1A1
SCHEMBL7349020 0.72 MMP2 (0.50) MMP2MMP9MMP12MMP3MMP1
SCHEMBL10979057 0.71 MMP2 (0.78) MMP2MMP9MMP12MMP3MMP1

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-0509845-A1 (+) and (-) enantiomers of 5-aliphatic-6-(benzoxazinyl- or benzothiazinyl)-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1992-10-21 EP disclosed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US disclosed
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 US disclosed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP disclosed