SCHEMBL6677251

SCHEMBL6677251

C=CC[N]C(=O)N(CC=C)N(CC=C)C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL861465 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1566315 0.74 ALDH1A1 (0.45) ALDH1A1
SCHEMBL7784947 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3800653 0.70 ALDH1A1 (0.35) ALDH1A1
SCHEMBL251766 0.68
SCHEMBL901205 0.68
SCHEMBL3652188 0.64 ALDH1A1 (0.52) ALDH1A1
SCHEMBL569861 0.64 ALDH1A1 (0.52) ALDH1A1
SCHEMBL17209104 0.64 ALDH1A1 (0.41) ALDH1A1
SCHEMBL4953751 0.63 ALDH1A1 (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP claimed