SCHEMBL8520587

SCHEMBL8520587

Cc1ccc(NCCOO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
POLB P06746 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
PLEC Q15149 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL8264100 0.81 MAPT (0.67) MAPTPOLBGAAALDH1A1KDM4E
SCHEMBL2065837 0.79 MAPT (1.00) MAPTPOLBGAAALDH1A1KDM4E
SCHEMBL12203956 0.78 MAPT (0.61) MAPTPOLBGAAALDH1A1KDM4E
SCHEMBL6446183 0.77 MAPT (0.55) MAPTPOLBGAAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL15329323 0.77 MAPT (0.94) MAPTPOLBGAAALDH1A1KDM4E
SCHEMBL17732662 0.76 MAPT (0.59) MAPTPOLBGAAALDH1A1KDM4E
SCHEMBL1003913 0.76 MAPT (0.73) MAPTPOLBGAAALDH1A1KDM4E
SCHEMBL11518048 0.75 MAPT (0.80) MAPTPOLBGAAALDH1A1KDM4E
SCHEMBL10126638 0.74 MAPT (0.52) MAPTPOLBGAAALDH1A1MAPK1
Hydrochloric Acid SCHEMBL29090067 0.74 MAPT (0.70) MAPTPOLBGAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942942-A1 EPOXIDE-AMINE DENDRIMERS AND THE PREPARATION AND USE THEREOF DENTSPLY INTERNATIONAL, INC. (US) 1999-09-22 EP disclosed
WO-1998024831-A1 EPOXIDE-AMINE DENDRIMERS AND THE PREPARATION AND USE THEREOF DENTSPLY INTERNATIONAL INC. (US) 1998-06-11 WO disclosed
EP-0797633-A1 AQUEOUS COATING MATERIAL AND ITS USE IN METHODS FOR SINGLE AND MULTI-COAT PAINTING Herberts Gesellschaft mit beschränkter Haftung (DE) 1997-10-01 EP disclosed
WO-1996018693-A1 AQUEOUS COATING MATERIAL AND ITS USE IN METHODS FOR SINGLE AND MULTI-COAT PAINTING Herberts Gesellschaft mit beschränkter Haftung (DE) 1996-06-20 WO disclosed