SCHEMBL9354511

SCHEMBL9354511

CC(O)N(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
AOC3 Q16853 1/20 0.38
ESR1 P03372 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Sulfuric Acid SCHEMBL8435875 0.89 ALDH1A1 (0.44) ALOX5ALDH1A1KDM4EPOLBLMNA
SCHEMBL19520807 0.83 ALDH1A1 (0.37) ALOX5ALDH1A1KDM4EPOLBAPOBEC3A
SCHEMBL6399613 0.82 ALDH1A1 (0.44) ALOX5ALDH1A1KDM4EPOLBAPOBEC3A
SCHEMBL104211 0.77 POLB (0.44) ALOX5ALDH1A1KDM4EPOLBAPOBEC3A
SCHEMBL5076555 0.77 ALDH1A1 (0.46) ALOX5ALDH1A1KDM4EPOLBAPOBEC3A
SCHEMBL9353616 0.76 ALOX5 (0.52) ALOX5ALDH1A1KDM4ELMNAADRA2A
SCHEMBL12157017 0.75 SLC6A2 (0.48) ALDH1A1KDM4EPOLBAPOBEC3AAPOBEC3G
SCHEMBL1674657 0.75 SLC6A2 (0.48) ALDH1A1KDM4EPOLBAPOBEC3AAPOBEC3G
SCHEMBL4387218 0.75 ALDH1A1 (0.43) ALOX5ALDH1A1LMNANPSR1TP53
SCHEMBL4387215 0.75 ALDH1A1 (0.43) ALOX5ALDH1A1LMNANPSR1TP53

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-0620270-A2 Cleaning compositions Colgate-Palmolive Company (US) 1994-10-19 EP disclosed