SCHEMBL8087960

SCHEMBL8087960

[2H]N1C(=O)c2cccc3ccc(OC(C)=O)c(c23)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA2A P29274 6/20 0.39
MEN1 O00255 4/20 0.39
ADORA3 P0DMS8 4/20 0.39
ADORA1 P30542 3/20 0.39
TTR P02766 2/20 0.39
HPGD P15428 2/20 0.39
ABCC4 O15439 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8088824 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL8087977 0.83 KDM4E (0.47) ALDH1A1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL8088807 0.74 KMT2A (0.47) ALDH1A1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL8088877 0.74 KMT2A (0.47) ALDH1A1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL28839422 0.70 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL4366187 0.69 GSK3B (0.59) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL30448667 0.69 GSK3B (0.59) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL28678417 0.69 PARP1 (0.58) ALDH1A1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL6634972 0.68 KDM4E (0.54) ALDH1A1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL8219437 0.68 KDM4E (0.56) ALDH1A1KMT2AMAPTKDM4EL3MBTL1

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-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US disclosed