SCHEMBL8489296

SCHEMBL8489296

CC1CC1C(=O)C(C(=O)OC(C)(C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.53
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
PKM P14618 1/20 0.37
STAT3 P40763 1/20 0.37
PARP14 Q460N5 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8494848 0.89 HPD (0.57) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL8492839 0.87 HPD (0.53) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL8489427 0.87 HPD (0.53) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL8489402 0.85 HPD (0.69) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL8491489 0.85 HPD (0.59) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL8493162 0.83 HPD (0.57) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL8488173 0.83 HPD (0.48) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL8491557 0.82 HPD (0.74) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL8492978 0.82 HPD (0.53) HPDMAPTALDH1A1MEN1KMT2A
SCHEMBL8494415 0.81 HPD (0.62) HPDMAPTALDH1A1MEN1KMT2A

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