SCHEMBL28310756

SCHEMBL28310756

CCCC/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.51
PTGES O14684 3/20 0.51
PPARG P37231 2/20 0.51
APEX1 P27695 3/20 0.49
HTR1A P08908 5/20 0.48
HTR2C P28335 3/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
PSMB11 A5LHX3 1/20 0.41

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
SCHEMBL10606243 0.94 HTR1A (0.52) ALOX5PTGESPPARGAPEX1HTR1A
SCHEMBL10610363 0.94 HTR1A (0.52) ALOX5PTGESPPARGAPEX1HTR1A
SCHEMBL28310745 0.91 HTR1A (0.50) ALOX5PTGESPPARGHTR1AHTR2C
SCHEMBL28310737 0.85 HTR1A (0.53) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL10635812 0.82 HTR1A (0.57) ALOX5PTGESHTR1AKDM4EALDH1A1
SCHEMBL2931779 0.82 HTR1A (0.57) ALOX5PTGESHTR1AKDM4EALDH1A1
SCHEMBL9119119 0.81 POLB (0.41) ALOX5PTGESPPARGHTR1AHTR2C
SCHEMBL9740608 0.81 MEN1 (0.53) HTR1AHTR2CKDM4EALDH1A1HPGD
SCHEMBL9740606 0.81 MEN1 (0.53) HTR1AHTR2CKDM4EALDH1A1HPGD
SCHEMBL9440566 0.80 POLB (0.40) ALOX5PTGESPPARGHTR1AHTR2C

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
CN-105367495-B Piperlongumine containing seven membered lactams rings is similar to object and its preparation and application 中国人民解放军第二军医大学 2019-07-23 CN disclosed