SCHEMBL24339396

SCHEMBL24339396

CCN(CC)c1ccc2c(c1)OC(O)C=C2COCCOCCOCCS

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 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
SCHEMBL25904709 0.73 S100B (0.39) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL24198288 0.70 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL25140704 0.60 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL28043306 0.60 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL24710860 0.59 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL29919343 0.59 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL25572168 0.59 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL28255547 0.58 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL20428276 0.57 MAOB (0.39) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL9770376 0.57 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2AHPGD

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-2022044761-A1 COMPOSITION CONTAINING SEMICONDUCTOR NANOPARTICLES, COLOR FILTER, AND IMAGE DISPLAY DEVICE 三菱ケミカル株式会社 2022-03-03 WO disclosed