SCHEMBL21536617

SCHEMBL21536617

CC(=O)C[C@@H](C)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BRD4 O60885 1/20 0.44
MAOB P27338 1/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL2312535 1.00 ALDH1A1 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL6824207 0.87 KMT2A (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7929513 0.87 KMT2A (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL2317601 0.87 KMT2A (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7507596 0.84 ALDH1A1 (0.50) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL20581847 0.84 ALDH1A1 (0.50) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL24335280 0.83 MMP1 (0.48) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL22336854 0.83 ALDH1A1 (0.50) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL19545851 0.83 ALDH1A1 (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL15338057 0.83 ALDH1A1 (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A

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-3124491-B1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS AND VACCINE COMPOSITIONS AS WELL AS PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INFECTIOUS DISEASE RES INST (US) 2019-10-30 EP disclosed