SCHEMBL8490357

SCHEMBL8490357

CC(C)(C)OC(=O)C(C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPD P32754 1/20 0.38
GPR119 Q8TDV5 7/20 0.36
ALDH3A1 P30838 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
VCAM1 P19320 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL8494434 0.86 HPD (0.46) ALDH1A1HPDALDH3A1MEN1KMT2A
SCHEMBL8492605 0.85 HPD (0.41) ALDH1A1HPDMAPTMAPK1TDP1
SCHEMBL8489246 0.85 HPD (0.46) ALDH1A1HPDMEN1KMT2AMAPT
SCHEMBL8110000 0.84 GPR119 (0.43) GPR119
SCHEMBL8489240 0.84 GPR119 (0.38) ALDH1A1GPR119MEN1KMT2AMAPT
SCHEMBL8494848 0.84 HPD (0.57) ALDH1A1HPDMEN1KMT2AMAPT
SCHEMBL8490986 0.82 CACNA1B (0.40) GPR119
SCHEMBL8683681 0.82 HPD (0.48) ALDH1A1HPDMEN1KMT2AMAPT
SCHEMBL8488173 0.82 HPD (0.48) ALDH1A1HPDMEN1KMT2AMAPT
SCHEMBL8492839 0.80 HPD (0.53) ALDH1A1HPDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066439-C Method for prepn. of isoxazoles herbicides RHONE POULENC AGROCHIMIE (GB) 2001-05-30 CN disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
CN-1037058-C Herbicide composition and use thereof RHONE POULENC AGRICULTURE (GB) 1998-01-21 CN disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
CN-1141294-A Method for prepn. of isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1997-01-29 CN disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed