SCHEMBL117765

SCHEMBL117765

CCC(CC(C)C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.58
SLC1A2 P43004 4/20 0.58
SLC1A1 P43005 3/20 0.58
CA2 P00918 1/20 0.48
MAPK1 P28482 1/20 0.48
FOLH1 Q04609 2/20 0.45
NAALAD2 Q9Y3Q0 2/20 0.45
ENPEP Q07075 2/20 0.45
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL15677327 0.98 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL12630685 0.98 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL14703124 0.98 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL9750996 0.98 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL17131773 0.98 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL164389 0.98 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL9888775 0.98 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL17618960 0.89 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL13377666 0.87 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1FOLH1NAALAD2
SCHEMBL14998130 0.87 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1FOLH1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3785315-A1 PARTICULATE SILICON-CONTAINING ACTIVE MATERIAL, NEGATIVE ELECTRODE, LITHIUM-ION BATTERY CELL, VEHICLE AND PROCESS FOR PRODUCING ACTIVE MATERIAL AND ELECTRODE VOLKSWAGEN AKTIENGESELLSCHAFT (DE) 2021-03-03 EP claimed
EP-2424835-B1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES BAYER IP GMBH (DE) 2015-07-01 EP claimed
WO-2012028162-A1 PROCESS FOR PREPARING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO claimed
EP-2424835-A1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATE PRODUCTS FOR SYNTHESES Bayer CropScience AG (DE) 2012-03-07 EP claimed
WO-2010127786-A1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATE PRODUCTS FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2010-11-11 WO claimed
EP-2246326-A1 Method for producing oxindoles and ortho-substituted anilines and their use as intermediate products for syntheses Bayer CropScience AG (DE) 2010-11-03 EP claimed
EP-0986527-B1 REDUCTION OF CARBONYL COMPOUNDS BY A SILANE IN THE PRESENCE OF A ZINC CATALYST FIRMENICH & CIE (CH) 2003-05-07 EP claimed
EP-0321871-B1 SUBSTRATES FOR ALPHA-AMYLASE DETERMINATION Roche Diagnostics GmbH (DE) 1993-07-07 EP claimed
EP-0321871-A2 Substrates for alpha-amylase determination Roche Diagnostics GmbH (DE) 1989-06-28 EP claimed
JP-2226517-A None JP disclosed
JP-6205657-A None JP disclosed
CN-117083272-A 4-alkoxy-6-oxo-pyridazine derivatives that modulate NLRP3 詹森药业有限公司 2023-11-17 CN disclosed
WO-2023116877-A1 HETEROCYCLIC COMPOUND AS TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2023-06-29 WO disclosed
US-20220372286-A1 DISSOLVABLE RUBBER TERVES, LLC 2022-11-24 US disclosed
EP-0295103-A2 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-12-14 EP disclosed
EP-0270246-A2 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-08 EP disclosed
EP-0270247-A2 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-08 EP disclosed
EP-0262901-A2 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-06 EP disclosed
EP-0239347-A1 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-30 EP disclosed
EP-0237187-A1 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-16 EP disclosed