SCHEMBL19937237

SCHEMBL19937237

CC(CC=O)C(=O)N(C)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 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
SCHEMBL13613403 0.83 ALDH1A1 (0.37) ALDH1A1ALOX15
SCHEMBL11183229 0.70 ALDH1A1 (0.39) ALDH1A1ALOX15
SCHEMBL10156042 0.69 ALDH1A1 (0.36) ALDH1A1ALOX15
SCHEMBL5072323 0.69 CYP2C9 (0.38) ALDH1A1ALOX15
SCHEMBL11191482 0.67 ALDH1A1 (0.37) ALDH1A1ALOX15
SCHEMBL11098534 0.67 HSD11B1 (0.38) ALDH1A1ALOX15
SCHEMBL21728663 0.66 CHRNB2 (0.36)
SCHEMBL8850098 0.66 ALDH1A1 (0.36) ALDH1A1ALOX15
SCHEMBL20224895 0.63 CHRNB2 (0.34)
SCHEMBL10156086 0.63 ADH1A (0.33)

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-2758462-B1 STABILIZING OF ORGANIC MATERIAL WITH AMINO-TRIAZINE BASED MANNICH-COMPOUNDS BOREALIS AG (AT) 2018-03-07 EP disclosed