SCHEMBL8489283

SCHEMBL8489283

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.45
VCAM1 P19320 2/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.37
ABCB1 P08183 8/20 0.36
MERTK Q12866 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL8491867 0.85 HPD (0.49) HPDMAPTKMT2AMEN1ALDH1A1
SCHEMBL8491768 0.84 HPD (0.48) HPDMAPTKMT2ARAB9AALDH1A1
SCHEMBL15103042 0.83 HPD (0.47) HPDMAPTKMT2AMEN1ABCB1
SCHEMBL8488945 0.83 HPD (0.56) HPDMAPTKMT2ARAB9AMEN1
SCHEMBL8491955 0.83 HPD (0.47) HPDMAPTRAB9AALDH1A1
SCHEMBL8492060 0.83 HPD (0.50) HPDMAPTKMT2AALDH1A1
SCHEMBL8494434 0.81 HPD (0.46) HPDVCAM1MAPTKMT2ARAB9A
SCHEMBL8489402 0.81 HPD (0.69) HPDMAPTKMT2AMEN1ALDH1A1
SCHEMBL8492861 0.79 HPD (0.57) HPDMAPTKMT2AMEN1ALDH1A1
SCHEMBL8489202 0.74 GSK3B (0.52) ABCB1

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-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
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
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