SCHEMBL28812413

SCHEMBL28812413

CCCC(=O)CCC(=O)OCc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
F2RL1 P55085 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
FFAR1 O14842 1/20 0.46
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP9 P14780 2/20 0.44
MMP1 P03956 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
PLA2G4B P0C869 1/20 0.43

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
SCHEMBL357272 0.91 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1F2RL1KMT2A
SCHEMBL3732372 0.89 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1F2RL1KMT2A
SCHEMBL28250073 0.85 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1F2RL1KMT2A
SCHEMBL27790577 0.85 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1F2RL1KMT2A
Formic Acid SCHEMBL28235708 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPK1F2RL1KMT2A
SCHEMBL28811907 0.84 MAPT (0.53) ALDH1A1KMT2AMEN1NPC1POLB
SCHEMBL7500299 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1KMT2AFFAR1
SCHEMBL30984667 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1F2RL1KMT2A
Hydrochloric Acid SCHEMBL4480459 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1F2RL1KMT2A
SCHEMBL8084703 0.83 CNR1 (0.50) ALDH1A1L3MBTL1MAPK1KMT2AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943220-B Photochemical synthesis method of 1, 4-dicarbonyl compound derivative 南京理工大学 2024-06-07 CN disclosed
CN-113943220-A Photochemical synthesis method of 1, 4-dicarbonyl compound derivative 南京理工大学 2022-01-18 CN disclosed