SCHEMBL236311

SCHEMBL236311

CCc1ccc(OS(=O)(=O)Oc2ccc(CC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
STS P08842 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
VDR P11473 1/20 0.41
CA9 Q16790 1/20 0.41
RAB9A P51151 1/20 0.40
SOD1 P00441 1/20 0.40
EGFR P00533 1/20 0.39
UCHL1 P09936 1/20 0.39

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
SCHEMBL21350186 0.90 CA2 (0.47) CA2STSSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL21349987 0.84 KDM4E (0.50) CA2STSSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL28509968 0.84 YAP1 (0.48) CA2STSSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL22519656 0.83 CA2 (0.45) CA2STSSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL236312 0.83 SMN1; SMN2 (0.47) CA2STSSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL14063987 0.83 CA2 (0.45) CA2STSSMN1; SMN2CYP2C19ALDH1A1
Ammonia Solution, Strong SCHEMBL9821317 0.81 SMN1; SMN2 (0.50) CA2STSSMN1; SMN2CYP2C19ALDH1A1
Potassium Ion SCHEMBL15510597 0.81 CA2 (0.48) CA2STSSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL14062440 0.79 DRD2 (0.45) CA2STSSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL5265636 0.78 CA2 (0.56) CA2STSSMN1; SMN2ALDH1A1LMNA

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 208 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
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
US-20240019417-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-01-18 US claimed
WO-2018152133-A1 MODULATION OF MICROBIAL SYNTHESIS OF 4-ETYLPHENOL AND 4-ETHYLPHENOL SULFATE IN BEHAVIOR AND DISEASE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-08-23 WO claimed
US-10041932-B2 Methods and systems for determining autism spectrum disorder risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2018-08-07 US claimed
CN-106714556-A Methods and systems for determining risk of autism spectrum disorders 美国控股实验室公司 2017-05-24 CN claimed
EP-3151665-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK Laboratory Corporation of America Holdings (US) 2017-04-12 EP claimed
US-20160091481-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORPORATION OF AMERICA HOLDINGS 2016-03-31 US claimed
US-20160091480-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORPORATION OF AMERICA HOLDINGS 2016-03-31 US 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
US-20150294081-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