SCHEMBL28487652

SCHEMBL28487652

Cc1ccc(OC(C)C)c(OC(=O)C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
PDE4B Q07343 1/20 0.41
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ACHE P22303 1/20 0.38
HPGD P15428 4/20 0.38
RORC P51449 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL28494383 0.87 ALDH1A1 (0.43) ALDH1A1PDE4BKMT2AL3MBTL1MEN1
SCHEMBL28485211 0.84 ALDH1A1 (0.42) ALDH1A1PDE4BKMT2AL3MBTL1MEN1
SCHEMBL28481675 0.83 PDE4B (0.55) ALDH1A1PDE4BKMT2AL3MBTL1MEN1
SCHEMBL13612528 0.82 ALDH1A1 (0.48) ALDH1A1PDE4BKMT2AL3MBTL1MEN1
SCHEMBL29910774 0.81 LMNA (0.51) L3MBTL1LMNA
SCHEMBL19919421 0.81 LMNA (0.51) L3MBTL1LMNA
SCHEMBL28618122 0.80 KMT2A (0.45) ALDH1A1KMT2AL3MBTL1MEN1RAB9A
SCHEMBL12370829 0.80 HSP90AA1 (0.47) ALDH1A1PDE4BKMT2AL3MBTL1MEN1
SCHEMBL28487000 0.79 HPGD (0.50) ALDH1A1PDE4BKMT2AL3MBTL1MEN1
SCHEMBL28608292 0.78 POLB (0.46) ALDH1A1PDE4BKMT2AL3MBTL1MEN1

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-111954664-A Cystic fibrosis transmembrane conductance regulator and methods of use 艾伯维海外有限公司 2020-11-17 CN disclosed