SCHEMBL236312

SCHEMBL236312

CCc1ccc(OS(=O)(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
CYP2C19 P33261 1/20 0.47
CA2 P00918 1/20 0.45
STS P08842 4/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.42
EGFR P00533 1/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL9821317 0.98 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19CA2STSRXRA
Ethylene Glycol SCHEMBL27465849 0.94 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19CA2STSRXRA
Pyridine SCHEMBL15510549 0.87 KMT2A (0.41) SMN1; SMN2CYP2C19RXRARXRBRAB9A
Benzoic Acid SCHEMBL15670791 0.85 ALDH1A1 (0.56) STSRXRARXRBALDH1A1RAB9A
SCHEMBL7724408 0.84 THRB (0.50) CA2STSGLAGAAALDH1A1
SCHEMBL236311 0.83 CA2 (0.48) SMN1; SMN2CYP2C19CA2STSRXRA
SCHEMBL7910581 0.82 GLA (0.53) CA2STSGLAGAA
SCHEMBL14015390 0.81 CA2 (0.51) SMN1; SMN2CA2STSALDH1A1HPGD
SCHEMBL21349987 0.81 KDM4E (0.50) SMN1; SMN2CYP2C19CA2STSRXRA
SCHEMBL14431584 0.81 CA2 (0.47) CA2STSGLAGAAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4022088-B1 COMPOSITIONS COMPRISING TOMATO POMACE FOR USE IN METHODS OF TREATING AND REDUCING RISK OF CONDITIONS ASSOCIATED WITH ELEVATED 4-ETHYLPHENYL SULFATE IN CANINES AND METHODS OF IDENTIFYING CANINES AT RISK OF SUCH CONDITIONS HILLS PET NUTRITION INC (US) 2025-09-17 EP claimed
CN-113009122-B Methods and systems for determining the risk of autism spectrum disorder 美国控股实验室公司 2025-01-17 CN claimed
WO-2024257872-A1 METHOD FOR PREDICTING GENE TRANSFER RATE 武田薬品工業株式会社 2024-12-19 WO claimed
WO-2024243289-A2 GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2024-11-28 WO claimed
EP-4424365-A2 PET FOOD COMPOSITIONS Hill's Pet Nutrition, Inc. (US) 2024-09-04 EP claimed
EP-4017281-B1 PET FOOD COMPOSITIONS HILLS PET NUTRITION INC (US) 2024-08-28 EP claimed
US-20240230622-A9 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-07-11 US claimed
CN-118252856-A Application of the above bacteria belonging to Bacteroides 表飞鸣制药株式会社 2024-06-28 CN claimed
US-20240133865-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-04-25 US claimed
US-20240118291-A1 DIAGNOSIS AND TREATMENT OF AUTISM SPECTRUM DISORDERS USING ALTERED RATIOS OF METABOLIC CONCENTRATIONS STEMINA BIOMARKER DISCOVERY INC (US) 2024-04-11 US claimed
EP-2797979-B1 LOW TEMPERATURE CURABLE EPOXY SYSTEM DOW GLOBAL TECHNOLOGIES LLC (US) 2015-11-04 EP claimed
US-9176113-B1 Methods and systems for determining autism spectrum disorder risk SYNAPDX CORPORATION (US) 2015-11-03 US claimed
US-20150293072-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORPORATION OF AMERICA HOLDINGS 2015-10-15 US claimed
WO-2015157601-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK SYNAPDX CORPORATION (US) 2015-10-15 WO claimed
US-20150294081-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORPORATION OF AMERICA HOLDINGS 2015-10-15 US 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
EP-2890808-A2 DIAGNOSIS AND TREATMENT OF AUTISM SPECTRUM DISORDER California Institute of Technology (US) 2015-07-08 EP claimed
US-20140065132-A1 DIAGNOSIS AND TREATMENT OF AUTISM SPECTRUM DISORDER CALIFORNIA INSTITUTE OF TECHNOLOGY 2014-03-06 US claimed
WO-2014036182-A2 DIAGNOSIS AND TREATMENT OF AUTISM SPECTRUM DISORDER CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-03-06 WO claimed
US-8658351-B2 Determining liver toxicity of an agent using metabolite biomarkers METABOLON, INC. (US) 2014-02-25 US claimed