SCHEMBL28273153

SCHEMBL28273153

Cc1cccc(/C=C/C(=O)c2ccc(O)c(O)c2O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.67
NR1H4 Q96RI1 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
XBP1 P17861 1/20 0.60
ALOX12 P18054 1/20 0.60
RECQL P46063 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
NFE2L2 Q16236 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.51
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL30736468 1.00 TERT (0.67) TERTNR1H4KDM4EMEN1ALDH1A1
SCHEMBL31436362 1.00 TERT (0.67) TERTNR1H4KDM4EMEN1ALDH1A1
SCHEMBL28488132 1.00 TERT (0.67) TERTNR1H4KDM4EMEN1ALDH1A1
SCHEMBL2541144 0.85 TERT (0.70) TERTNR1H4KDM4EMEN1ALDH1A1
SCHEMBL30736439 0.85 TERT (0.70) TERTNR1H4KDM4EMEN1ALDH1A1
SCHEMBL2541146 0.85 TERT (0.70) TERTNR1H4KDM4EMEN1ALDH1A1
SCHEMBL31436349 0.85 TERT (0.70) TERTNR1H4KDM4EMEN1ALDH1A1
SCHEMBL30736445 0.83 CYP1B1 (0.68) TERTNR1H4ALDH1A1MAOAMAOB
SCHEMBL31436356 0.83 CYP1B1 (0.68) TERTNR1H4ALDH1A1MAOAMAOB
SCHEMBL25265116 0.82 MAOB (0.73) KDM4EMEN1ALDH1A1LMNAPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109265332-B Polyhydroxy chalcone compound and application thereof 北京理工大学 2020-11-13 CN claimed
CN-109265332-A A kind of polyhydroxy chalcone compound and application thereof 北京理工大学 2019-01-25 CN claimed
CN-109265332-B Polyhydroxy chalcone compound and application thereof 北京理工大学 2020-11-13 CN disclosed
CN-109265332-A A kind of polyhydroxy chalcone compound and application thereof 北京理工大学 2019-01-25 CN disclosed