SCHEMBL2351087

SCHEMBL2351087

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.80
KMT2A Q03164 5/20 0.80
MAPT P10636 4/20 0.80
SLC25A20 O43772 3/20 0.80
TP53 P04637 3/20 0.80
TSHR P16473 3/20 0.80
CYP2D6 P10635 2/20 0.80
CYP2C19 P33261 2/20 0.80
SLC6A5 Q9Y345 2/20 0.80
CYP2C9 P11712 2/20 0.80
HIF1A Q16665 2/20 0.80
KDM4E B2RXH2 1/20 0.80
CYP3A4 P08684 1/20 0.80
NFKB1 P19838 1/20 0.80
THPO P40225 1/20 0.80
HSD17B10 Q99714 1/20 0.80
RECQL P46063 1/20 0.73
CYP1A2 P05177 4/20 0.67
HRH1 P35367 1/20 0.67
MAPK1 P28482 4/20 0.59

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
Hydrochloric Acid SCHEMBL11154180 0.98 MEN1 (0.78) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL17891477 0.97 MEN1 (0.85) MEN1KMT2AMAPTSLC25A20TP53
Potassium Ion SCHEMBL10496266 0.95 MEN1 (0.74) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL17891447 0.95 MEN1 (0.88) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL16344748 0.95 MEN1 (0.88) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL18075036 0.95 MEN1 (0.88) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL17891458 0.95 MEN1 (0.88) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL17891452 0.95 MEN1 (0.88) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL31180037 0.94 MEN1 (0.72) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL29378967 0.94 MEN1 (0.72) MEN1KMT2AMAPTSLC25A20TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665853-A1 COMPOSITIONS FOR AND METHODS OF TREATING AND/OR PREVENTING GLUTARIC ACIDURIA TYPE-I Duke University (US) 2025-12-24 EP claimed
CN-120089347-A Neonate genetic metabolism disease screening automatic interpretation system based on artificial intelligence 洛阳瀚纳生物科技有限公司 2025-06-03 CN claimed
CN-119816897-A Multiple study assessment 普罗科技有限公司 2025-04-11 CN claimed
CN-116087353-B Metabolic identification method for wild cordyceps sinensis and substitute thereof 武汉大学中南医院 2025-04-08 CN claimed
CN-119224197-A Method for analyzing amino acid and/or acyl carnitine 株式会社岛津制作所 2024-12-31 CN claimed
CN-112804936-B Metabonomic signatures for predicting, diagnosing and prognosing various diseases including cancer 梅塔博洛米克斯股份有限公司 2024-10-25 CN claimed
CN-118813788-A Biomarker for detecting or judging osteoporosis or osteoporosis disease risk and application thereof 上海中医药大学附属龙华医院 2024-10-22 CN claimed
CN-118731196-A Qualitative and quantitative detection and analysis method and system for acyl carnitine and compound thereof 复旦大学 2024-10-01 CN claimed
WO-2024197285-A1 COMPOSITIONS FOR AND METHODS OF TREATING AND/OR PREVENTING GLUTARIC ACIDURIA TYPE-I DUKE UNIVERSITY (US) 2024-09-26 WO claimed
CN-113871008-B Predictive model for early diagnosis of lung cancer and related products and application thereof 大连医科大学附属第二医院 2024-09-10 CN claimed
EP-3191845-A1 BIOMARKERS FOR ASSESSING BREAST CANCER IDCGS Clínica de Diagnósticos Médicos Ltda (BR) 2017-07-19 EP claimed
WO-2016115496-A1 METABOLITE BIOMARKERS PREDICTIVE OF RENAL DISEASE IN DIABETIC PATIENTS JOSLIN DIABETES CENTER (US) 2016-07-21 WO claimed
CN-105759065-A Use of blood metabolism marker and depression detecting kit 天津桑尼匹克生物科技有限公司 2016-07-13 CN claimed
WO-2016038157-A1 BIOMARKERS FOR ASSESSING BREAST CANCER IDCGS CLÍNICA DE DIAGNÓSTICOS MÉDICOS LTDA (BR) 2016-03-17 WO claimed
US-7229834-B2 Diagnosing carnitine deficiency in patients, monitoring by blood analyzing, mass-spectrometry method PEDIATRIX SCREENING, INC. (US) 2007-06-12 US claimed
US-20060128027-A1 Method for interpreting tandem mass spectrometry data for clinical diagnosis PERKINELMER GENETICS, INC. 2006-06-15 US claimed
EP-1412727-A4 METHOD FOR INTERPRETING TANDEM MASS SPECTROMETRY DATA FOR CLINICAL DIAGNOSIS PEDIATRIX SCREENING INC (US) 2004-12-29 EP claimed
EP-1412727-A1 METHOD FOR INTERPRETING TANDEM MASS SPECTROMETRY DATA FOR CLINICAL DIAGNOSIS Pediatrix Screening, Inc. (US) 2004-04-28 EP claimed
US-6455321-B1 Method for interpreting tandem mass spectrometry data for clinical diagnosis NEO GEN SCREENING, INC. 2002-09-24 US claimed
WO-2002048697-A1 METHOD FOR INTERPRETING TANDEM MASS SPECTROMETRY DATA FOR CLINICAL DIAGNOSIS NEO GEN SCREENING, INC. (US) 2002-06-20 WO claimed