SCHEMBL9752316

SCHEMBL9752316

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
FDPS P14324 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
SCHEMBL27472777 0.77 FDPS (0.32) ALDH1A1TSHRFDPS
SCHEMBL29060977 0.76 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL15112007 0.76 ALDH1A1 (0.39) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL10475840 0.72 GABRR1 (0.33) FDPS
Hydrochloric Acid SCHEMBL10475838 0.72 GABRR1 (0.33) FDPS
Hydrochloric Acid SCHEMBL1503568 0.68 CA1 (0.33) FDPS
SCHEMBL28222119 0.68 GABRR1 (0.34)
SCHEMBL28526302 0.66 TSHR (0.38) ALDH1A1TSHR
Acrylic Acid SCHEMBL27767922 0.65 LMNA (0.42) ALDH1A1TSHRFDPS
SCHEMBL9683571 0.65 GRIK1 (0.37) ALDH1A1TSHRFDPS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991000346-A1 POLYNUCLEOTIDE PHOSPHORYLASE IMMOBILIZED ON TRIS(HYDROXYMETHYL)METHYLACRYLAMIDE POLYMER BEADS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO claimed