SCHEMBL8636721

SCHEMBL8636721

CC(S)(C(=O)O)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.47
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
KMO O15229 1/20 0.39
RIPK1 Q13546 3/20 0.37
GAA P10253 1/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KIF11 P52732 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2791382 0.81 KCNN4 (0.50) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL30501769 0.81 KCNN4 (0.50) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL8591922 0.80 KCNN4 (0.49) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL29009855 0.80 KCNN4 (0.49) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL6400375 0.80 KCNN4 (0.49) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL6229462 0.79 KCNN4 (0.51) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL8637486 0.78 MAPT (0.42) KCNN4HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL3621250 0.77 KCNN4 (0.50) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL25421703 0.76 KCNN4 (0.45) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL30628289 0.76 KCNN4 (0.51) KCNN4HDAC3HDAC1HDAC2HDAC6

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