SCHEMBL6462907

SCHEMBL6462907

CCOC(C)[n+]1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31

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
Hydrochloric Acid SCHEMBL28596229 0.98 LMNA (0.36) LMNATHRBL3MBTL1
Thiocyanic Acid SCHEMBL6466470 0.88 LMNA (0.34) LMNA
SCHEMBL3755632 0.78 THRB (0.35) LMNATHRBL3MBTL1
SCHEMBL4894909 0.76 ALDH1A1 (0.30)
Hydrochloric Acid SCHEMBL28526124 0.74
SCHEMBL1598299 0.72
SCHEMBL28419360 0.70 PPARA (0.32) LMNAL3MBTL1
Bromide SCHEMBL10898857 0.69 L3MBTL1 (0.31) L3MBTL1
SCHEMBL1551956 0.67 CHRM2 (0.31) LMNA
SCHEMBL28245652 0.67 CHRM2 (0.31) LMNA

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
WO-2005023422-A2 PRODUCTION AND USE OF IONIC LIQUIDS CONTAINING THIOCYANATO ANIONS SOLVENT INNOVATION GMBH (DE) 2005-03-17 WO disclosed
EP-1512460-A1 Preparation and use of ionic liquids having thiocyanat as anion Solvent Innovation GmbH (DE) 2005-03-09 EP disclosed