SCHEMBL4859236

SCHEMBL4859236

CC/C(=C(/C)C(=O)O)N(C)C.CCC/C(=C(/C)C(=O)O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
THRB P10828 1/20 0.37
PGGT1B P53609 1/20 0.37
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
ALDH1A1 P00352 2/20 0.34
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TSHR P16473 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
SCHEMBL112390 0.94 FNTA (0.41) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL1932859 0.94 FNTA (0.41) FNTAFNTBTHRBPGGT1BFFAR3
Ammonia Solution, Strong SCHEMBL6453054 0.92 FNTA (0.39) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL109778 0.89 ALDH1A1 (0.36) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL44909 0.89 ALDH1A1 (0.36) FNTAFNTBTHRBPGGT1BFFAR3
Hydrochloric Acid SCHEMBL27756695 0.87 ALDH1A1 (0.35) FNTAFNTBTHRBPGGT1BFFAR3
Hydrochloric Acid SCHEMBL5177423 0.87 ALDH1A1 (0.35) FNTAFNTBTHRBPGGT1BFFAR3
Acetic Acid SCHEMBL6238297 0.87 FFAR3 (0.35) FNTAFNTBTHRBPGGT1BFFAR3
Hydrochloric Acid SCHEMBL10569852 0.85 FFAR3 (0.33) FNTAFNTBTHRBPGGT1BFFAR3
Chloromethane SCHEMBL219837 0.85 ALDH1A1 (0.33) FNTAFNTBTHRBPGGT1BFFAR3

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
JP-2008506794-A 2008-03-06 JP claimed
EP-1771532-A1 USE OF GRAFT POLYMERS Rohmax Additives GmbH (DE) 2007-04-11 EP claimed
WO-2006007934-A1 USE OF GRAFT POLYMERS ROHMAX ADDITIVES GMBH (DE) 2006-01-26 WO claimed