SCHEMBL28113526

SCHEMBL28113526

CCOC(=O)CC(O)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PPID Q08752 1/20 0.47
LMNA P02545 1/20 0.46
HSD11B1 P28845 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
MMP8 P22894 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL28836748 0.98 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1PPIDLMNA
SCHEMBL1231975 0.92 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL32684615 0.90 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1PPIDLMNA
SCHEMBL28113525 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
Methacrylic Acid SCHEMBL1231329 0.86 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1LMNARECQL
SCHEMBL7421147 0.84 ALDH1A1 (0.54) ALDH1A1PPIDLMNAHSD11B1RECQL
SCHEMBL28675001 0.82 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1PPIDLMNA
SCHEMBL9782122 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL7944901 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL28002725 0.81 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1LMNAKMT2A

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-106278881-A A kind of synthetic method for 3D printing flexible material auxiliary agent 天津科技大学 2017-01-04 CN disclosed