SCHEMBL7733836

SCHEMBL7733836

N[C@@H]1CCCC2CCCCC21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL616343 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL616342 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL9887225 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL3240402 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL3833315 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL12263192 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL9887265 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL3792447 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL3836511 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL12262011 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990634-B1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES DAICEL CHEM (JP) 2013-04-10 EP disclosed
US-6429314-B1 USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-06 US disclosed
EP-0990634-A1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES Daicel Chemical Industries, Ltd. (JP) 2000-04-05 EP disclosed