SCHEMBL8489317

SCHEMBL8489317

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 3/20 0.41
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CES2 O00748 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL8489313 1.00 HPD (0.41) HPDMEN1KMT2APKMTRPM8
SCHEMBL8488940 0.92 HPD (0.50) HPDMEN1KMT2APKMTRPM8
SCHEMBL8488943 0.92 HPD (0.50) HPDMEN1KMT2APKMTRPM8
SCHEMBL8493334 0.89 HPD (0.43) HPDMEN1KMT2APKMMAPT
SCHEMBL8493337 0.89 HPD (0.43) HPDMEN1KMT2APKMMAPT
SCHEMBL8490479 0.84 HPD (0.40) HPDMEN1KMT2AMAPTALDH1A1
SCHEMBL8490485 0.84 HPD (0.40) HPDMEN1KMT2AMAPTALDH1A1
SCHEMBL8488709 0.80 HPD (0.53) HPDMEN1KMT2APKMMAPT
SCHEMBL8491682 0.80 HPD (0.53) HPDMEN1KMT2APKMMAPT
SCHEMBL8491684 0.80 HPD (0.53) HPDMEN1KMT2APKMMAPT

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
Send feedback