SCHEMBL9112666

SCHEMBL9112666

CC(=O)ON(CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 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
ABCB1 P08183 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
ATM Q13315 1/20 0.40
FPR1 P21462 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9114405 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL13687217 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL2192195 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL4689328 0.77 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6581785 0.77 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL27736805 0.77 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL13661128 0.75 CCR6 (0.51) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL8899616 0.75 ALDH1A1 (0.44) ALDH1A1L3MBTL1KMT2AHPGDCTSB
SCHEMBL16440493 0.74 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL16467969 0.74 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659188-A4 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS. AFFYMAX TECH NV (AN) 1995-11-22 EP disclosed
EP-0659188-A1 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS AFFYMAX TECHNOLOGIES N.V. (AN) 1995-06-28 EP disclosed
WO-1994006808-A1 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS AFFYMAX TECHNOLOGIES N.V. (AN) 1994-03-31 WO disclosed