SCHEMBL21933665

SCHEMBL21933665

CC(C)CCOC(C)(C)C(C)(C)C(C)(C)N

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL29307245 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL25083770 0.73 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL24564579 0.71
SCHEMBL31755 0.71 MAPK1 (0.42) ALDH1A1TDP1
SCHEMBL12022865 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL14465349 0.68 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL26934429 0.68 ALDH1A1 (0.31) ALDH1A1
Boric Acid SCHEMBL28284978 0.68 CA12 (0.32) ALDH1A1
SCHEMBL22842754 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16363513 0.67 ALDH1A1 (0.37) ALDH1A1TDP1

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-3128838-B1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION AGRA GROUP AS (CZ) 2020-04-29 EP disclosed