SCHEMBL7619340

SCHEMBL7619340

COc1ccc(Cl)c(CN2OCC(C)(C)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 3/20 0.36
HTR2A P28223 2/20 0.36
KCNH2 Q12809 1/20 0.36
PTGER3 P43115 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL7614152 0.90 BRD4 (0.53) BRD4SLC6A4HTR2AKCNH2PTGER3
SCHEMBL29481371 0.84 BRD4 (0.48) BRD4POLBKCNH2DRD2DRD3
SCHEMBL11204308 0.84 BRD4 (0.48) BRD4POLBKCNH2DRD2DRD3
SCHEMBL11192742 0.82 BRD4 (0.47) BRD4ALDH1A1MAPTMAPK1PTGER3
SCHEMBL29156115 0.80 BRD4 (0.53) BRD4ALDH1A1POLBTDP1
SCHEMBL7607390 0.80 BRD4 (0.51) BRD4MAP2K1
SCHEMBL10744356 0.79 BRD4 (0.45) BRD4LMNAPOLBMAPTSMN1; SMN2
Clomazone SCHEMBL29355790 0.79 BRD4 (0.53) BRD4GAAALDH1A1MAPTSMN1; SMN2
Clomazone SCHEMBL23519 0.79 BRD4 (0.53) BRD4GAAALDH1A1MAPTSMN1; SMN2
Clomazone SCHEMBL6280248 0.79 BRD4 (0.53) BRD4GAAALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002534440-A 2002-10-15 JP claimed
EP-1143941-A3 USE OF 3-ISOXAZOLIDINONES AND HYDROXYLAMINE ACIDS FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-02-06 EP claimed
EP-1143941-A2 USE OF 3-ISOXAZOLIDINONES AND HYDROXYLAMINE ACIDS FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2001-10-17 EP claimed
WO-2000041473-A2 USE OF 3-ISOXAZOLIDINONES AND HYDROXYLAMINE ACIDS FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2000-07-20 WO claimed
EP-1143941-A3 USE OF 3-ISOXAZOLIDINONES AND HYDROXYLAMINE ACIDS FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-02-06 EP disclosed
EP-1143941-A2 USE OF 3-ISOXAZOLIDINONES AND HYDROXYLAMINE ACIDS FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2001-10-17 EP disclosed
EP-1100510-A2 COMBINED PREPARATION OF ANTI-INFECTIOUSLY ACTIVE COMPOUNDS WHICH INHIBIT THE 2-C-METHYLERYTHROSE-4 METABOLIC PATHWAY, AND INHIBITORS OF LIPID METABOLISM Jomaa, Hassan (DE) 2001-05-23 EP disclosed
WO-2000041473-A2 USE OF 3-ISOXAZOLIDINONES AND HYDROXYLAMINE ACIDS FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2000-07-20 WO disclosed
WO-1999066875-A2 COMBINED PREPARATION OF ANTI-INFECTIOUSLY ACTIVE COMPOUNDS WHICH INHIBIT THE 2-C-METHYLERYTHROSE-4 METABOLIC PATHWAY, AND INHIBITORS OF LIPID METABOLISM JOMAA HASSAN (DE) 1999-12-29 WO disclosed
US-4405357-A Herbicidal 3-isoxazolidinones and hydroxamic acids FMC CORPORATION (US) 1983-09-20 US disclosed