SCHEMBL8002603

SCHEMBL8002603

C=CCOC(=O)C(C)OC(=O)C=Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PPOX P50336 5/20 0.33
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APP P05067 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8002600 1.00 PTGDR (0.35) PTGDRSLC6A2SLC6A3PPOXATM
SCHEMBL3676778 0.78 PPOX (0.38) PTGDRPPOXATML3MBTL1
SCHEMBL3676780 0.78 PPOX (0.38) PTGDRPPOXATML3MBTL1
SCHEMBL25395175 0.75 PTGDR (0.42) PTGDRPPOX
SCHEMBL8011328 0.75 PTGDR (0.42) PTGDRPPOX
SCHEMBL8011326 0.75 PTGDR (0.42) PTGDRPPOX
SCHEMBL9781318 0.70 PPOX (0.51) PPOX
SCHEMBL11068472 0.69 MEN1 (0.45) SLC6A2SLC6A3MEN1LMNAKMT2A
SCHEMBL24293385 0.69 PPOX (0.38) PPOXLMNAKMT2A
SCHEMBL39177 0.68 MAPT (0.37) PPOXKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117822-A AS HERBICIDES AND PLANT DESICCANTS AND/OR DEFOLIANTS BASF AKTIENGESELLSCHAFT (DE) 2000-09-12 US disclosed
EP-0788479-B1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AG (DE) 2000-04-19 EP disclosed
EP-0939078-A2 Substituted phthalimido-cinnamic acid derivatives with herbicidal activity BASF AKTIENGESELLSCHAFT (DE) 1999-09-01 EP disclosed
US-5807807-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5707937-A AGRICULTURAL HERBICIDES, DESICCANTS, DEFOLIANTS, HARVESTING AIDS BASF AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
WO-1996014298-A1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1996-05-17 WO disclosed