SCHEMBL527583

SCHEMBL527583

CC(=O)c1ccc(C(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
HPGD P15428 4/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B1 P14061 1/20 0.48
MAPK1 P28482 2/20 0.45
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM8 O00222 1/20 0.42
GRM4 Q14833 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
SCHEMBL1262317 0.83 MAPT (0.48) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL17319344 0.83 MAPT (0.48) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL16659380 0.82 MAPT (0.52) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL21728512 0.81 MAPT (0.46) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL50646 0.81 MAPT (0.68) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL182327 0.80 CYP2C9 (0.55) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL9683939 0.80 MAPT (0.50) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL23036961 0.79 LMNA (0.58) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL9790477 0.79 MAPT (0.45) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL23036958 0.79 LMNA (0.58) MAPTHPGDLMNARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250089-A A kind of synthetic method of drug synthesis intermediate iodoacetamido choline 成都东电艾尔科技有限公司 2018-07-06 CN claimed
CN-104016956-A 5,2',4'-trihydroxyl-7-methyl-3-hydrocarbyl flavone analogue as well as preparation method and application thereof UNIV GUANGXI TEACHERS EDUCATION 2014-09-03 CN claimed
CN-108250089-A A kind of synthetic method of drug synthesis intermediate iodoacetamido choline 成都东电艾尔科技有限公司 2018-07-06 CN disclosed
CN-104016956-A 5,2',4'-trihydroxyl-7-methyl-3-hydrocarbyl flavone analogue as well as preparation method and application thereof UNIV GUANGXI TEACHERS EDUCATION 2014-09-03 CN disclosed
WO-2012015901-A1 METHODS FOR TREATING GASTRIC AND PANCREATIC MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
US-20090118146-A1 IMPREGNATING OIL COMPOSITION FOR SINTERED BEARING, BEARING APPARATUS AND SLIDING MEMBER FUJIFILM CORPORATION (JP) 2009-05-07 US disclosed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP disclosed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed