SCHEMBL8637042

SCHEMBL8637042

CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=N.CCCCCCCCCCCCc1ccccc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
LTA4H P09960 2/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30

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
Famoxadone SCHEMBL673443 0.71 MMP2 (0.42) MMP2MMP9MMP3MMP8MMP13
Rubidium SCHEMBL6925069 0.69 LIPG (0.53) PPARGPPARA
SCHEMBL6864718 0.69 PPARA (0.43) LTA4HPPARGPPARA
SCHEMBL14947341 0.69 LTA4H (0.46) MMP2MMP9MMP3MMP8MMP13
SCHEMBL10598568 0.68 LIPG (0.51) PPARGPPARA
SCHEMBL6535928 0.68 LIPG (0.54) PPARGPPARA
SCHEMBL21121138 0.68 LIPG (0.54) PPARGPPARA
Nonane SCHEMBL5533194 0.68 LIPG (0.54) PPARGPPARA
SCHEMBL24722 0.68 LIPG (0.54) PPARGPPARA
SCHEMBL153186 0.68 LIPG (0.54) PPARGPPARA

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-0577712-B1 FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES DU PONT (US) 1998-07-29 EP disclosed
EP-0577712-A1 FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-01-12 EP disclosed
WO-1992016515-A1 FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-01 WO disclosed
EP-0503798-A1 Fungicidal 4-thixooxazolidin-2-ones and 4-iminooxazolindin-2-ones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-16 EP disclosed