SCHEMBL28629684

SCHEMBL28629684

CCCCCCCCCCCCCCNC(=O)CCc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
HTR1A P08908 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
HTR7 P34969 1/20 0.57
HTR6 P50406 1/20 0.57
HPGD P15428 1/20 0.57
EPHX2 P34913 1/20 0.56

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
SCHEMBL9425666 0.80 MEN1 (0.70) KMT2AMEN1EPHX2
SCHEMBL22291866 0.78 POLB (0.81) HPGD
SCHEMBL11367962 0.78 HPGD (0.82) KMT2AMEN1HPGD
SCHEMBL9426051 0.78 CYP1A2 (0.66) HPGD
SCHEMBL11415704 0.77 KMT2A (0.65) KMT2AMEN1
SCHEMBL10773005 0.76 PTGS2 (0.59) HTR2CHTR2A
SCHEMBL10772012 0.76 PTGS2 (0.59) HTR2CHTR2A
SCHEMBL10774727 0.76 PTGS2 (0.59) HTR2CHTR2A
SCHEMBL8559148 0.76 MEN1 (0.62) KMT2AMEN1
SCHEMBL27516231 0.76 KMT2A (0.85) KMT2AMEN1HTR1AHTR2CHTR2A

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-109516926-B Preparation and application of piperlonguminine derivative 四川大学 2021-09-17 CN disclosed