SCHEMBL13019015

SCHEMBL13019015

CC(CCO)CCN(C)CI

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL4611027 0.86 ALDH1A1 (0.43) ALDH1A1ALOX15
SCHEMBL4612828 0.82 ALDH1A1 (0.40) ALDH1A1ALOX15
SCHEMBL12294533 0.80 ALDH1A1 (0.39) ALDH1A1ALOX15
SCHEMBL600559 0.77 MAPT (0.48) ALDH1A1ALOX15
SCHEMBL13391262 0.73
SCHEMBL1310245 0.73
SCHEMBL16846553 0.73
SCHEMBL28762 0.72
SCHEMBL25864537 0.70 ALDH1A1 (0.38) ALDH1A1ALOX15
Ethylene Glycol SCHEMBL5930511 0.69 ALDH1A1 (0.55) 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
WO-2010150255-A1 CONJUGATES OF CYTOTOXIC DRUGS APOSENSE LTD. (IL) 2010-12-29 WO disclosed