SCHEMBL9516628

SCHEMBL9516628

CC(CCO)CCC(N(C)C)C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL11788032 0.74 ALOX15 (0.40) ALDH1A1ALOX15
SCHEMBL7974373 0.72 ALDH1A1 (0.39) ALDH1A1ALOX15
SCHEMBL11059751 0.72 ALDH1A1 (0.55) ALDH1A1ALOX15
SCHEMBL28762 0.69
SCHEMBL20191265 0.69 ALDH1A1 (0.43) ALDH1A1ALOX15
SCHEMBL15477168 0.67 ALDH1A1 (0.41) ALDH1A1ALOX15
Ethylene Glycol SCHEMBL5930511 0.67 ALDH1A1 (0.55) ALDH1A1ALOX15
SCHEMBL1472489 0.66 ALDH1A1 (0.44) ALDH1A1ALOX15
SCHEMBL8617756 0.66 TRPA1 (0.39) ALDH1A1ALOX15
SCHEMBL362466 0.66 ALOX15 (0.42) ALDH1A1ALOX15

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-0209158-B1 Terpene amino alcohols and medicinal uses thereof KURARAY CO (JP) 1993-12-08 EP disclosed