SCHEMBL28038899

SCHEMBL28038899

C=CCNc1cccc(C(=O)OC(C)(C)C)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ALDH1A1 P00352 5/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.37
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL28038832 0.79 ADRA1A (0.42) ADRA1AADRA1BL3MBTL1P2RX7KDM4E
SCHEMBL28038888 0.77 CNR2 (0.44) ADRA1AADRA1BALDH1A1TP53L3MBTL1
SCHEMBL28039136 0.77 CNR2 (0.44) ADRA1AADRA1BALDH1A1TP53L3MBTL1
SCHEMBL28823422 0.77 CNR2 (0.44) ADRA1AADRA1BALDH1A1TP53L3MBTL1
SCHEMBL28039144 0.77 CNR2 (0.44) ADRA1AADRA1BALDH1A1TP53L3MBTL1
SCHEMBL17865619 0.74 ALDH1A1 (0.37) ALDH1A1TP53L3MBTL1LMNAMAPT
SCHEMBL28823445 0.73 KDM4E (0.37) ADRA1AADRA1BALDH1A1L3MBTL1LMNA
SCHEMBL11062628 0.73 KDM4E (0.62) ADRA1AADRA1BALDH1A1L3MBTL1LMNA
SCHEMBL31110129 0.72 NAMPT (0.44) ADRA1AADRA1BALDH1A1L3MBTL1MAPT
SCHEMBL31665348 0.72 NAMPT (0.44) ADRA1AADRA1BALDH1A1L3MBTL1MAPT

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-104981249-A Antimicrobial compounds, their synthesis and applications thereof SEC DEP FOR HEALTH 2015-10-14 CN disclosed