SCHEMBL8442283

SCHEMBL8442283

CCC1=C(C(=O)OC)CCCO1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
SLC6A3 Q01959 13/20 0.37
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28580343 0.78 ACHE (0.41) ACHESLC6A3SLC6A2SLC6A4
SCHEMBL2412750 0.78 ACHE (0.53) ACHESLC6A3SLC6A2SLC6A4
SCHEMBL28580346 0.75 SLC6A3 (0.40) ACHESLC6A3SLC6A2SLC6A4
SCHEMBL13469218 0.73 SLC6A3 (0.45) ACHESLC6A3SLC6A2SLC6A4SMN1; SMN2
SCHEMBL13469340 0.73 SLC6A3 (0.45) ACHESLC6A3SLC6A2SLC6A4SMN1; SMN2
SCHEMBL11675258 0.72 RAB9A (0.46) SMN1; SMN2
SCHEMBL2131145 0.71 SLC6A3 (0.53) ACHESLC6A3SLC6A2SLC6A4
SCHEMBL8636289 0.71 SLC6A3 (0.53) ACHESLC6A3SLC6A2SLC6A4
SCHEMBL497872 0.71
SCHEMBL12824793 0.70

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869427-A Substituted thiophene derivative and plant disease control agent comprising the same as active ingredient MITSUI CHEMICALS, INC. (JP) 1999-02-09 US disclosed
EP-0841336-A1 Substituted thiopene derivative and plant disease control agent comprising the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-05-13 EP disclosed