SCHEMBL28250073

SCHEMBL28250073

CCCC(=O)OCc1ccc(OC)cc1.COc1ccc(COC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.47
FFAR1 O14842 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 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
F2RL1 P55085 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

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 0.94 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1KMT2AFFAR1
Formic Acid SCHEMBL28235708 0.88 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPK1KMT2AFFAR1
SCHEMBL1871228 0.87 ALDH1A1 (0.62) ALDH1A1FFAR1HTTNPC1POLB
SCHEMBL112518 0.87 ALDH1A1 (0.62) ALDH1A1FFAR1HTTNPC1POLB
SCHEMBL3732372 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1KMT2AFFAR1
SCHEMBL28812413 0.85 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1KMT2AFFAR1
SCHEMBL7500299 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1KMT2AFFAR1
Acetic Acid SCHEMBL1868801 0.84 ALDH1A1 (0.63) ALDH1A1FFAR1HTTNPC1POLB
SCHEMBL8084703 0.83 CNR1 (0.50) ALDH1A1L3MBTL1MAPK1KMT2AFFAR1
SCHEMBL18381104 0.82 ALDH1A1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed