SCHEMBL7774755

SCHEMBL7774755

C=CCN(CC=C)C(CCC)=C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
THRB P10828 1/20 0.34
PGGT1B P53609 1/20 0.34
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 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
SCHEMBL1275912 1.00 ALDH1A1 (0.41) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL1275894 0.85 ALDH1A1 (0.39) ALDH1A1TSHRMAPT
SCHEMBL6472141 0.85 ALDH1A1 (0.39) ALDH1A1TSHRMAPT
SCHEMBL1275243 0.84 ALDH1A1 (0.40) ALDH1A1TSHRMAPT
SCHEMBL17273521 0.84 ALDH1A1 (0.40) ALDH1A1TSHRMAPT
SCHEMBL1082613 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3257900 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2770803 0.79 FNTA (0.39) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL634778 0.79 FNTA (0.39) ALDH1A1FNTAFNTBTHRBPGGT1B
SCHEMBL10887020 0.77 ALDH1A1 (0.36) ALDH1A1

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-0904324-B1 METHOD OF COATING ELECTRICALLY CONDUCTIVE SUBSTRATES COGNIS DEUTSCHLAND GMBH (DE) 2001-08-22 EP disclosed
EP-0904324-A1 METHOD OF COATING ELECTRICALLY CONDUCTIVE SUBSTRATES Henkel Kommanditgesellschaft auf Aktien (DE) 1999-03-31 EP disclosed
WO-1997046628-A1 METHOD OF COATING ELECTRICALLY CONDUCTIVE SUBSTRATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-12-11 WO disclosed