SCHEMBL8668660

SCHEMBL8668660

CCC(C)OC(=O)CC(CC(=O)O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MAPT P10636 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.30
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 1/20 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
SCHEMBL27383612 0.77 GAA (0.40)
SCHEMBL4025536 0.77 SLC22A6 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7832375 0.76 SLC22A6 (0.33) SLC22A6
SCHEMBL1604218 0.76 SLC22A6 (0.36) MAPTSLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL2988925 0.76 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2692319 0.76 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2980554 0.76 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18489593 0.75 MMP1 (0.35) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8877183 0.75 SLC22A6 (0.43) MAPTSLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL9745593 0.72 MMP1 (0.35) MMP1MMP2MMP3MMP9MMP13

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
US-5817602-A Herbicidal thiadiazabicyclodecanes NOVARTIS CORPORATION (US) 1998-10-06 US disclosed
EP-0705267-B1 HERBICIDAL THIADIAZABICYCLODECANES CIBA GEIGY AG (CH) 1997-08-13 EP disclosed
EP-0705267-A1 HERBICIDAL THIADIAZABICYCLODECANES CIBA GEIGY AG (CH) 1996-04-10 EP disclosed
WO-1995000521-A1 HERBICIDAL THIADIAZABICYCLODECANES CIBA-GEIGY AG (CH) 1995-01-05 WO disclosed