SCHEMBL26869734

SCHEMBL26869734

CC(C)OC(=O)C(N)Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
GRM4 Q14833 4/20 0.48
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
EGFR P00533 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2A P28223 1/20 0.43
PTGS2 P35354 1/20 0.43
RECQL P46063 1/20 0.43
SLC7A5 Q01650 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 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
SCHEMBL6935540 0.87 ALDH1A1 (0.73) ALDH1A1GRM4MAPTNPSR1ALOX15
SCHEMBL11397934 0.87 ALDH1A1 (0.73) ALDH1A1GRM4MAPTNPSR1ALOX15
SCHEMBL22557986 0.87 ALDH1A1 (0.73) ALDH1A1GRM4MAPTNPSR1ALOX15
SCHEMBL503583 0.86 ALDH1A1 (0.58) ALDH1A1GRM4MAPTNPSR1ALOX15
SCHEMBL22972798 0.86 ALDH1A1 (0.58) ALDH1A1GRM4MAPTNPSR1ALOX15
Hydrochloric Acid SCHEMBL6935538 0.86 ALDH1A1 (0.76) ALDH1A1GRM4MAPTNPSR1ALOX15
Hydrochloric Acid SCHEMBL3813837 0.85 ALDH1A1 (0.60) ALDH1A1GRM4MAPTNPSR1ALOX15
Hydrochloric Acid SCHEMBL2787874 0.85 ALDH1A1 (0.60) ALDH1A1GRM4MAPTNPSR1ALOX15
SCHEMBL6140245 0.83 ALOX15 (0.62) ALDH1A1MAPTALOX15HSD17B10KDM4E
Hydrochloric Acid SCHEMBL29588252 0.81 ALOX15 (0.60) ALDH1A1MAPTALOX15HSD17B10KDM4E

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
US-20230383342-A1 COMPOSITIONS AND METHODS FOR NUCLEIC ACID SEQUENCING ILLUMINA, INC. 2023-11-30 US disclosed