SCHEMBL8488940

SCHEMBL8488940

CCO/C=C(\C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 3/20 0.50
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ XBP1 P17861 1/20 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
SCHEMBL8488943 1.00 HPD (0.50) HPDMEN1KMT2APKMALDH1A1
SCHEMBL8489317 0.92 HPD (0.41) HPDMEN1KMT2APKMALDH1A1
SCHEMBL8489313 0.92 HPD (0.41) HPDMEN1KMT2APKMALDH1A1
SCHEMBL8488712 0.88 HPD (0.53) HPDMEN1KMT2APKMALDH1A1
SCHEMBL8491682 0.88 HPD (0.53) HPDMEN1KMT2APKMALDH1A1
SCHEMBL8488709 0.88 HPD (0.53) HPDMEN1KMT2APKMALDH1A1
SCHEMBL8491684 0.88 HPD (0.53) HPDMEN1KMT2APKMALDH1A1
SCHEMBL8489436 0.86 HPD (0.51) HPDMEN1KMT2APKMALDH1A1
SCHEMBL8488906 0.86 HPD (0.48) HPDMEN1KMT2APKMALDH1A1
SCHEMBL9019943 0.86 HPD (0.48) HPDMEN1KMT2APKMALDH1A1

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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