SCHEMBL7945249

SCHEMBL7945249

COc1ccc(C(=O)OCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.57
KMT2A Q03164 3/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.56
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
PLAU P00749 1/20 0.50
ELANE P08246 1/20 0.50
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 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
SCHEMBL2704247 0.90 KMT2A (0.71) ESR2KMT2ASLC6A2SLC6A3TDP1
SCHEMBL6662121 0.86 KMT2A (0.76) ESR2KMT2ASLC6A2SLC6A3TDP1
SCHEMBL2842512 0.83 KMT2A (0.71) ESR2KMT2ASLC6A2SLC6A3TDP1
Benzyl Benzoate SCHEMBL22712797 0.83 KMT2A (0.77) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL16689961 0.81 KMT2A (0.67) ESR2KMT2ASLC6A2SLC6A3TDP1
SCHEMBL7370844 0.81 SMN1; SMN2 (0.55) ESR2KMT2ASLC6A2SLC6A3TDP1
SCHEMBL25386125 0.80 L3MBTL1 (0.60) ESR2KMT2ALMNANPC1RAB9A
SCHEMBL23914465 0.80 L3MBTL1 (0.65) KMT2ASLC6A2SLC6A3TDP1RAB9A
SCHEMBL11684699 0.79 ALDH1A1 (0.74) TDP1NPC1RAB9AMAPTALDH1A1
SCHEMBL1171464 0.79 ALDH1A1 (0.74) TDP1NPC1RAB9AMAPTALDH1A1

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
WO-2001023341-A1 PROCESSES FOR THE PREPARATION OF CHEMICAL COMPOUNDS BRITISH SUGAR PLC (GB) 2001-04-05 WO disclosed