SCHEMBL490382

SCHEMBL490382

O=C(O)CCc1cc(O)cc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
FFAR1 O14842 5/20 0.50
PCNA P12004 1/20 0.49
LTA4H P09960 1/20 0.48
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PTGS2 P35354 3/20 0.45
CYP3A4 P08684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
ACHE P22303 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
PTPRB P23467 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
PTEN P60484 1/20 0.43
PTPMT1 Q8WUK0 1/20 0.43

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
SCHEMBL6353317 0.86 HDAC3 (0.57) FFAR1LTA4HPTGS2CYP3A4MAPT
SCHEMBL5670212 0.85 KEAP1 (0.64) KEAP1FFAR1PCNATHRATHRB
SCHEMBL706527 0.85 MAPT (0.57) PTGS2CYP3A4MAPT
Phenyl Propionic Acid SCHEMBL29011742 0.85 KEAP1 (0.79) KEAP1FFAR1THRATHRBGAA
SCHEMBL28157467 0.83 LTA4H (0.50) LTA4HTHRBPTGS2CYP3A4GAA
SCHEMBL29185406 0.81 FFAR1 (0.56) KEAP1FFAR1THRATHRBGAA
SCHEMBL3811969 0.81 RXRA (0.58) KEAP1PCNATHRATHRBCYP3A4
SCHEMBL30825091 0.81 FFAR1 (0.56) KEAP1FFAR1THRATHRBGAA
SCHEMBL490873 0.79 KEAP1 (0.52) KEAP1FFAR1PCNATHRATHRB
SCHEMBL31336237 0.79 KEAP1 (0.63) KEAP1FFAR1FFAR4PTPRBCDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117969859-B Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-09-06 CN claimed
CN-117969859-A Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-05-03 CN claimed
CN-117147721-A Method for distinguishing fermented soybeans from fermented soybeans 中南林业科技大学 2023-12-01 CN claimed
CN-104593355-A Specific nucleic acid pairing crosslinking method XIAMEN DUOWEI BIOMEDICAL TECHNOLOGY CO LTD 2015-05-06 CN claimed
CN-117843276-B Multi-component composite steel slag grinding-aid excitant and preparation method thereof 华新水泥股份有限公司 2024-11-26 CN disclosed
CN-117969859-B Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-09-06 CN disclosed
CN-117969859-A Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-05-03 CN disclosed
CN-117843276-A Multi-component composite steel slag grinding-aid excitant and preparation method thereof 华新水泥股份有限公司 2024-04-09 CN disclosed
CN-117243374-A Method for improving bioavailability of 5-heptadecyl resorcinol 江南大学 2023-12-19 CN disclosed
CN-117147721-A Method for distinguishing fermented soybeans from fermented soybeans 中南林业科技大学 2023-12-01 CN disclosed
US-20230371552-A1 Pet Food Compositions HILL'S PET NUTRITION, INC. (US) 2023-11-23 US disclosed
CN-113969251-B Streptococcus bus and application thereof in biosynthesis of catechin derivatives 华中农业大学 2023-05-02 CN disclosed
US-20030207119-A1 Optical elements comprising a fluorinated surface treatment comprising urethane, ester or phosphate linkages 3M INNOVATIVE PROPERTIES COMPANY 2003-11-06 US disclosed
WO-2003082997-A1 URETHANE-BASED STAIN-RELEASE COATINGS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-09 WO disclosed
US-6582759-B1 Retroreflective sheeting, pavement markings, and beaded projection screens 3M INNOVATIVE PROPERTIES COMPANY 2003-06-24 US disclosed
US-20030105263-A1 Urethane-based stain-release coatings 3M INNOVATIVE PROPERTIES COMPANY 2003-06-05 US disclosed
US-20030026997-A1 Water-and oil-repellency imparting urethane oligomers comprising perfluoroalkyl moieties 3M INNOVATIVE PROPERTIES COMPANY 2003-02-06 US disclosed
US-20030001130-A1 Water-and oil-repellency imparting ester oligomers comprising perfluoroalkyl moieties 3M INNOVATIVE PROPERTIES COMPANY 2003-01-02 US disclosed
WO-2002072657-A1 WATER- AND OIL-REPELLENCY IMPARTING URETHANE OLIGOMERS COMPRISING PERFLUOROALKYL MOIETIES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-09-19 WO disclosed
WO-2002014443-A2 URETHANE-BASED STAIN-RELEASE COATINGS 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-02-21 WO disclosed