SCHEMBL5089236

SCHEMBL5089236

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL876069 0.70 HDAC3 (0.40) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL27513944 0.69 ALDH1A1 (0.38) ALDH1A1
SCHEMBL3342552 0.69 HDAC3 (0.39) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL4087560 0.68 ALDH1A1 (0.37) ALDH1A1
SCHEMBL25053314 0.67 FFAR3 (0.37) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL7679499 0.67 FFAR3 (0.37) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL11386864 0.67 ALDH1A1 (0.42) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL18929922 0.67 LMNA (0.36) ALDH1A1
SCHEMBL17061403 0.66 HDAC3 (0.40) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL1003654 0.66 HDAC3 (0.40) ALDH1A1FFAR3HDAC3HDAC1HDAC2

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-7462588-B2 Dishwasher detergents comprising a specific polymer mixture HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2008-12-09 US disclosed
US-20060223734-A1 Dishwasher detergents comprising a specific polymer mixture HENKEL AG & CO. KGAA (DE) 2006-10-05 US disclosed