SCHEMBL29169367

SCHEMBL29169367

Cc1ccc(COC(=O)Cc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.79
ALDH1A1 P00352 3/20 0.79
MAPK1 P28482 1/20 0.79
KMT2A Q03164 2/20 0.65
LMNA P02545 1/20 0.58
PAM P19021 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
ENPP2 Q13822 1/20 0.52
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL9880917 1.00 L3MBTL1 (0.79) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
Nitrogen SCHEMBL28521302 0.97 L3MBTL1 (0.74) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL13932524 0.93 ALDH1A1 (0.66) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL6784181 0.91 ALDH1A1 (0.96) L3MBTL1ALDH1A1MAPK1KMT2APAM
SCHEMBL361779 0.89 ALDH1A1 (1.00) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL8508557 0.87 ALDH1A1 (0.64) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL57331 0.86 ALDH1A1 (0.85) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL31245908 0.86 ALDH1A1 (0.85) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL27499661 0.85 ALDH1A1 (0.92) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL8117331 0.84 ALDH1A1 (0.82) L3MBTL1ALDH1A1MAPK1KMT2APAM

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-117700387-A Rockwell-like alcohol compound, intermediate, preparation method and application 深圳湾实验室 2024-03-15 CN disclosed