SCHEMBL3944018

SCHEMBL3944018

CC/C=C/CCOC(=O)CCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.51
NR1I2 O75469 2/20 0.51
PTGS2 P35354 2/20 0.51
PGR P06401 1/20 0.51
PDE4D Q08499 1/20 0.51
ALDH1A1 P00352 8/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 1/20 0.49
MGLL Q99685 1/20 0.46
MAPT P10636 4/20 0.45
THRB P10828 1/20 0.45
CNR1 P21554 1/20 0.45
DGKA P23743 2/20 0.44
CYP19A1 P11511 4/20 0.42
PPARG P37231 3/20 0.42
OXER1 Q8TDS5 3/20 0.42
RXRA P19793 2/20 0.42

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
SCHEMBL309027 1.00 ADORA3 (0.51) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL309026 1.00 ADORA3 (0.51) ADORA3NR1I2PTGS2PGRPDE4D
Acetic Acid SCHEMBL31534018 0.94 ADORA3 (0.47) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL29255856 0.94 ADORA3 (0.60) ADORA3NR1I2PTGS2PGRPDE4D
Butyric Acid SCHEMBL1866744 0.93 ALDH1A1 (0.50) ADORA3NR1I2PTGS2PGRPDE4D
Butyric Acid SCHEMBL1866742 0.93 ALDH1A1 (0.50) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL16568217 0.92 ADORA3 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL22832722 0.92 ADORA3 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL22832723 0.92 ADORA3 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL28859892 0.90 MGLL (0.47) ADORA3NR1I2PTGS2PGRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118948864-A Composition for relieving stomach ache from lilac flower, preparation and application thereof 内蒙古农业大学 2024-11-15 CN claimed
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO claimed
EP-3294347-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2018-03-21 EP claimed
WO-2016180893-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-11-17 WO claimed
US-8603963-B1 Fragrance compositions containing low vapor pressure VOC solvents TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-12-10 US claimed
US-20070190219-A1 Fermented Tea Obtained By Tea-Rolling Processing Of Tea Material Leaves And Loquat Leaves, And Composition Having Extract Contained In Fermented Tea As Active Component NAGASAKI PREFECTURAL GOVERNMENT (JP) 2007-08-16 US claimed
EP-3250242-B1 FRAGRANCE COMPOSITIONS AND AIR CARE DEVICES RHODIA BRASIL S A (BR) 2025-04-16 EP disclosed
CN-118948864-A Composition for relieving stomach ache from lilac flower, preparation and application thereof 内蒙古农业大学 2024-11-15 CN disclosed
US-20240192184-A1 DETECTION OF FLAVOUR LOSS GIVAUDAN SA (CH) 2024-06-13 US disclosed
CN-117898139-A Application of exogenous spray theanine in improving yield and quality of yellow tea 安徽农业大学 2024-04-19 CN disclosed
EP-3897194-B1 STABLE SPRAY-DRIED PARTICLES GIVAUDAN SA (CH) 2023-09-06 EP disclosed
CN-116536109-A Perfume composition and air care device 罗地亚巴西有限公司 2023-08-04 CN disclosed
EP-1361787-A2 ANIMAL LITTER COMPOSITION CONTAINING SILICA GEL AND METHODS THEREFOR NESTEC LTD. (CH) 2003-11-19 EP disclosed
US-20030200936-A1 Animal litter composition containing silica gel and methods therefor NESTEC LTD. (CH) 2003-10-30 US disclosed
US-6578521-B2 Animal litter composition containing silica gel and methods thereof NESTEC LTD. (CH) 2003-06-17 US disclosed
US-6543385-B2 Animal litter composition containing silica gel and methods therefor NESTEC, LTD. (CH) 2003-04-08 US disclosed
US-20030051673-A1 Animal litter composition containing silica gel and methods therefor NESTEC LTD. (CH) 2003-03-20 US disclosed
US-20020117117-A1 Animal litter composition containing silica gel and methods therefor NESTEC LTD. (CH) 2002-08-29 US disclosed
WO-2002056673-A2 ANIMAL LITTER COMPOSITION CONTAINING SILICA GEL AND METHODS THEREFOR NESTLE PURINA PETCARE COMPANY (US) 2002-07-25 WO disclosed