SCHEMBL8493337

SCHEMBL8493337

CCOC=C(C(C)=O)C(=O)c1ccc(C(F)(F)C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 3/20 0.43
▸ MAPT P10636 3/20 0.36
▸ GLO1 Q04760 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL8493334 1.00 HPD (0.43) HPDMAPTGLO1LMNAFLT1
SCHEMBL8488709 0.91 HPD (0.53) HPDMAPTLMNAFLT1FLT4
SCHEMBL8488712 0.91 HPD (0.53) HPDMAPTLMNAFLT1FLT4
SCHEMBL8489317 0.89 HPD (0.41) HPDMAPTLMNAFLT1FLT4
SCHEMBL8489313 0.89 HPD (0.41) HPDMAPTLMNAFLT1FLT4
SCHEMBL8888323 0.88 HPD (0.41) HPDMAPTGLO1LMNAMEN1
SCHEMBL8488098 0.88 HPD (0.41) HPDMAPTGLO1LMNAMEN1
SCHEMBL8490485 0.87 HPD (0.40) HPDMAPTLMNAFLT1FLT4
SCHEMBL8490479 0.87 HPD (0.40) HPDMAPTLMNAFLT1FLT4
SCHEMBL8491056 0.83 MAPT (0.42) HPDMAPTGLO1LMNAMEN1

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 5 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
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