SCHEMBL2597780

SCHEMBL2597780

CC(C)C(NC(=O)C1CCC(=O)N1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
ACACB O00763 1/20 0.36
HDAC3 O15379 5/20 0.36
HDAC11 Q96DB2 5/20 0.36
HDAC6 Q9UBN7 5/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL20560032 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL2597779 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL31199170 0.94 DDOST (0.39) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL31199175 0.94 DDOST (0.39) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL25834354 0.89 POLB (0.42) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL14943195 0.89 POLB (0.42) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL31199165 0.88 POLB (0.38) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL23513480 0.87 DDOST (0.43) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL11735638 0.87 DDOST (0.43) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL19359293 0.87 DDOST (0.43) SMN1; SMN2POLBMEN1KMT2AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024230650-A1 SYNBIOTIC COMPOSITION, METABOLITE AND USE THEREOF IN PREVENTION AND TREATMENT OF OBESITY-RELATED DISEASES 徐丞志 2024-11-14 WO claimed
EP-3805756-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT Metabolon, Inc. (US) 2021-04-14 EP claimed
CN-106537145-B Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2020-08-25 CN claimed
CN-106537145-A Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2017-03-22 CN claimed
EP-3129909-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT Metabolon, Inc. (US) 2017-02-15 EP claimed
WO-2015157407-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT METABOLON, INC. (US) 2015-10-15 WO claimed
WO-2024230650-A1 SYNBIOTIC COMPOSITION, METABOLITE AND USE THEREOF IN PREVENTION AND TREATMENT OF OBESITY-RELATED DISEASES 徐丞志 2024-11-14 WO disclosed
EP-3967217-B1 BLOOD BASED BIOMARKERS FOR DIAGNOSING ATHEROSCLEROTIC CORONARY ARTERY DISEASE GLOBAL GENOMICS GROUP LLC (US) 2024-08-14 EP disclosed
US-20240257973-A1 DISEASE SPECTRUM CLASSIFICATION PATIENTSLIKEME LLC (US) 2024-08-01 US disclosed
US-20240230622-A9 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-07-11 US disclosed
US-20240133865-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-04-25 US disclosed
EP-3690439-B1 A NONINVASIVE METHOD FOR MEASURING METABOLITES FOR SKIN HEALTH PROCTER & GAMBLE (US) 2024-03-27 EP disclosed
US-11894139-B1 Disease spectrum classification PATIENTSLIKEME LLC (US) 2024-02-06 US disclosed
EP-2776832-A1 BIOMARKERS FOR BLADDER CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2014-09-17 EP disclosed
WO-2013188333-A1 BIOMARKERS RELATED TO NEPHROTOXICITY AND METHODS USING THE SAME METABOLON, INC. (US) 2013-12-19 WO disclosed
US-20130217647-A1 Biomarkers for Prostate Cancer and Methods Using the Same METABOLON, INC. (US) 2013-08-22 US disclosed
WO-2013070839-A1 BIOMARKERS FOR BLADDER CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2013-05-16 WO disclosed
WO-2013070962-A1 METHODS AND USES FOR METABOLIC PROFILING FOR CLOSTRIDIUM DIFFICILE INFECTION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-16 WO disclosed
US-20130115649-A1 Methods and Reagents for Metabolomics and Histology in a Biological Sample and a Kit for the Same METABOLON, INC. 2013-05-09 US disclosed
WO-2011146683-A1 METHODS AND REAGENTS FOR METABOLOMICS AND HISTOLOGY IN A BIOLOGICAL SAMPLE AND A KIT FOR THE SAME METABOLON, INC. (US) 2011-11-24 WO disclosed