SCHEMBL7609218

SCHEMBL7609218

CC(C)(CCl)C(=O)N(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
RIPK1 Q13546 2/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
GLA P06280 2/20 0.39
TSHR P16473 1/20 0.39
PAX8 Q06710 2/20 0.38

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
SCHEMBL4778706 0.82 KMT2A (0.47) SMN1; SMN2KMT2AMEN1CYP3A4CYP2C9
SCHEMBL3283283 0.79 KMT2A (0.60) SMN1; SMN2KMT2AMEN1CYP3A4CYP2C9
SCHEMBL7616044 0.76 RIPK1 (0.73) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL10837254 0.71 ALDH1A1 (0.67) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL3380546 0.70 CYP2C19 (0.42) SMN1; SMN2KMT2AMEN1CYP3A4CYP2C9
SCHEMBL10876359 0.69 CES1 (0.48) SMN1; SMN2KMT2AMEN1CYP3A4CYP2C19
SCHEMBL11269635 0.69 CES1 (0.43) SMN1; SMN2KMT2AMEN1CYP3A4CYP2C9
SCHEMBL7612868 0.69 RIPK1 (0.48) ALDH1A1RIPK1KDM4EHPGDMAPT
SCHEMBL29682370 0.69 RIPK1 (0.51) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL9508580 0.68 POLB (0.63) CYP3A4CYP2C9POLB

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 8 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
WO-2000041473-A2 USE OF 3-ISOXAZOLIDINONES AND HYDROXYLAMINE ACIDS FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2000-07-20 WO disclosed
US-4405357-A Herbicidal 3-isoxazolidinones and hydroxamic acids FMC CORPORATION (US) 1983-09-20 US disclosed