SCHEMBL7943792

SCHEMBL7943792

C=CC(=O)N(C(C=C)CC)C(C=C)CC

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32

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
SCHEMBL5178031 0.80 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL7110107 0.78 GRIK1 (0.31)
SCHEMBL429457 0.76 TSHR (0.42) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL588653 0.76 TSHR (0.37) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL157071 0.74 TSHR (0.39) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL9004322 0.72 ALDH1A1 (0.34) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL15841446 0.72 TSHR (0.38) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL2232029 0.71 ALDH1A1 (0.33) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL1007133 0.69
SCHEMBL4781625 0.68 TSHR (0.39) ALDH1A1TSHRZDHHC20ZDHHC2

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
US-6258275-B1 Affinity macroligands ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2001-07-10 US disclosed
EP-0126363-B1 USE OF COPOLYMER FROM ESTERS AND AMIDES OF ACRYLIC AND/OR METHACRYLIC ACIDS AS POUR POINT DEPRESSANTS IN PARAFFIN SOLUTIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1986-12-03 EP disclosed
EP-0126363-A1 Use of copolymer from esters and amides of acrylic and/or methacrylic acids as pour point depressants in paraffin solutions Henkel Kommanditgesellschaft auf Aktien (DE) 1984-11-28 EP disclosed