SCHEMBL8685482

SCHEMBL8685482

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.63
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
MAPK1 P28482 3/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
AKR1B1 P15121 2/20 0.35
AKR1C4 P17516 2/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35

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
SCHEMBL8492861 0.85 HPD (0.57) HPDMAPTALDH1A1FLT1FLT4
SCHEMBL8492155 0.82 HPD (0.67) HPDMAPTALDH1A1FLT1FLT4
SCHEMBL8492000 0.80 MAPT (0.49) HPDMAPTALDH1A1FLT1FLT4
SCHEMBL8492893 0.79 HPD (0.51) HPDALDH1A1LMNATDP1NPC1
SCHEMBL8494878 0.79 HPD (0.64) HPDMAPTALDH1A1FLT1FLT4
SCHEMBL8491079 0.79 HPD (0.70) HPDMAPTALDH1A1FLT1FLT4
SCHEMBL8491194 0.77 HPD (0.83) HPDMAPTALDH1A1FLT1FLT4
SCHEMBL8488607 0.77 HPD (0.47) HPDMAPTALDH1A1FLT1FLT4
SCHEMBL8491405 0.76 HPD (0.47) HPDMAPTALDH1A1FLT1FLT4
SCHEMBL8492917 0.76 HPD (0.48) HPDMAPTALDH1A1FLT1FLT4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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