SCHEMBL9509560

SCHEMBL9509560

C=CCN(C(=O)O)C(C=C)OC(C=C)N(CC=C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL2721038 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2941786 0.72 KMT2A (0.39) MEN1KMT2AALDH1A1
SCHEMBL368598 0.71 ALDH1A1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL3948554 0.71 KMT2A (0.35) MEN1KMT2AALDH1A1
SCHEMBL4663815 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23801854 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17937940 0.69 GRIK1 (0.33) ALDH1A1
SCHEMBL9494776 0.69
SCHEMBL18839969 0.68 TSHR (0.32) ALDH1A1
SCHEMBL22283207 0.68 ALDH1A1 (0.32) 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-0331472-B1 Dialkylaminoalkyl-hydroxyalkyl ethers of polygalactomannans STEIN HALL & CO INC (US) 1993-11-03 EP disclosed
US-4918181-A Tertiaryaminoalkyl-hydroxyalkyl ethers of polygalactomannans RHODIA INC. 1990-04-17 US disclosed
EP-0331472-A2 Dialkylaminoalkyl-hydroxyalkyl ethers of polygalactomannans STEIN, HALL & CO., INC. (US) 1989-09-06 EP disclosed