SCHEMBL7775544

SCHEMBL7775544

CN(CCN(C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
ALDH1A1 P00352 4/20 0.47
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HDAC1 Q13547 1/20 0.44
SYK P43405 1/20 0.44
GBA1 P04062 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL10308981 0.93 L3MBTL1 (0.47) L3MBTL1ALDH1A1F13A1TGM2TGM1
SCHEMBL19700749 0.90 L3MBTL1 (0.45) L3MBTL1ALDH1A1F13A1TGM2TGM1
SCHEMBL13494190 0.90 L3MBTL1 (0.45) L3MBTL1ALDH1A1F13A1TGM2TGM1
SCHEMBL21998139 0.90 L3MBTL1 (0.56) L3MBTL1ALDH1A1F13A1TGM2TGM1
SCHEMBL7367495 0.89 ALDH1A1 (0.58) L3MBTL1ALDH1A1F13A1TGM2TGM1
SCHEMBL25970374 0.88 CCR6 (0.45) L3MBTL1ALDH1A1F13A1TGM2TGM1
SCHEMBL22164246 0.88 L3MBTL1 (0.44) L3MBTL1ALDH1A1F13A1TGM2TGM1
SCHEMBL30311467 0.88 CCR6 (0.48) L3MBTL1ALDH1A1F13A1TGM2TGM1
SCHEMBL28956076 0.87 L3MBTL1 (0.47) L3MBTL1ALDH1A1MAPTHPGDSYK
SCHEMBL30511020 0.87 L3MBTL1 (0.43) L3MBTL1ALDH1A1F13A1TGM2TGM1

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
EP-0688314-B1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 2001-10-04 EP disclosed
US-5804559-A WATER SOLUBILITY HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-08 US disclosed