SCHEMBL2586857

SCHEMBL2586857

C=CCC(=O)NCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
GPR18 Q14330 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37

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
SCHEMBL28172953 0.84 NQO2 (0.36) ALDH1A1MAPTTDP1POLBABCC4
SCHEMBL10941118 0.80
SCHEMBL4566876 0.79 TSHR (0.35) ALDH1A1MAPTTDP1TSHRSMN1; SMN2
SCHEMBL4265308 0.79 MAPT (0.35) FAAHALDH1A1MAPTTDP1KDM4E
SCHEMBL3794429 0.77 FAAH (0.53) FAAHALDH1A1MAPTMEN1KMT2A
SCHEMBL10337028 0.77 NQO2 (0.42) FAAHALDH1A1MAPTMEN1KMT2A
SCHEMBL11224311 0.76 FAAH (0.39) FAAHALDH1A1MAPTMEN1KMT2A
SCHEMBL31386 0.75
SCHEMBL24130200 0.74 NQO2 (0.33) FAAHMAPTTSHRSMN1; SMN2NQO2
SCHEMBL32689516 0.74 FAAH (0.56) FAAHALDH1A1MAPTMEN1KMT2A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2564194-B1 METABOLIC BIOMARKERS OF AUTISM WISCONSIN ALUMNI RES FOUND (US) 2019-07-10 EP claimed
US-10330688-B2 Metabolic biomarkers of autism WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-25 US claimed
CN-108588210-B Biological small molecule and gene-containing liver injury biomarker, method and application 首都医科大学附属北京朝阳医院 2019-03-29 CN claimed
CN-108588210-A Biological small molecule and gene-containing liver injury biomarker, method and application 首都医科大学附属北京朝阳医院 2018-09-28 CN claimed
US-20170192019-A1 Metabolic Biomarkers of Autism WISCONSIN ALUMNI RES FOUND (US) 2017-07-06 US claimed
US-9547013-B2 Molecule biomarkers of autism WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-01-17 US claimed
EP-2564194-A1 METABOLIC BIOMARKERS OF AUTISM Wisconsin Alumni Research Foundation (US) 2013-03-06 EP claimed
US-20120190055-A1 MOLECULE BIOMARKERS OF AUTISM STEMINA BIOMARKER DISCOVERY, INC. (US) 2012-07-26 US claimed
WO-2011139914-A1 METABOLIC BIOMARKERS OF AUTISM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-11-10 WO claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-110129424-A Hepatic injury biomarker, method and application comprising biological micromolecule and gene 首都医科大学附属北京朝阳医院 2019-08-16 CN disclosed
CN-110129424-A Hepatic injury biomarker, method and application comprising biological micromolecule and gene 首都医科大学附属北京朝阳医院 2019-08-16 CN disclosed
EP-2564194-B1 METABOLIC BIOMARKERS OF AUTISM WISCONSIN ALUMNI RES FOUND (US) 2019-07-10 EP disclosed
US-10330688-B2 Metabolic biomarkers of autism WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-25 US disclosed
WO-2014086604-A1 TRIMETHYLAMINE-N-OXIDE AS BIOMARKER FOR THE PREDISPOSITION FOR WEIGHT GAIN AND OBESITY NESTEC S.A. (CH) 2014-06-12 WO disclosed
WO-2014086605-A1 ISOVALERYLGLYCINE AS BIOMARKER FOR THE PREDISPOSITION FOR WEIGHT GAIN AND OBESITY NESTEC S.A. (CH) 2014-06-12 WO disclosed
WO-2014086603-A1 HEXANOYLGLYCINE AS BIOMARKER FOR THE PREDISPOSITION FOR WEIGHT GAIN AND OBESITY NESTEC S.A. (CH) 2014-06-12 WO disclosed
EP-2564194-A1 METABOLIC BIOMARKERS OF AUTISM Wisconsin Alumni Research Foundation (US) 2013-03-06 EP disclosed
US-20120190055-A1 MOLECULE BIOMARKERS OF AUTISM STEMINA BIOMARKER DISCOVERY, INC. (US) 2012-07-26 US disclosed
WO-2011139914-A1 METABOLIC BIOMARKERS OF AUTISM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-11-10 WO disclosed