SCHEMBL6182230

SCHEMBL6182230

O=C(c1cnoc1C1CC1)c1cccc2c1OC(F)(F)O2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.37
FFAR4 Q5NUL3 1/20 0.36
IDO1 P14902 1/20 0.36
EPHX2 P34913 2/20 0.34
JAK2 O60674 1/20 0.33
PTK2 Q05397 1/20 0.33
NAMPT P43490 1/20 0.33
SMYD3 Q9H7B4 2/20 0.32
CXCR2 P25025 2/20 0.32
CYP17A1 P05093 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
RORC P51449 1/20 0.32
ATR Q13535 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL6182249 0.81 DHODH (0.34) DHODHFFAR4IDO1EPHX2NAMPT
SCHEMBL6181368 0.81 DHODH (0.34) DHODHFFAR4IDO1EPHX2NAMPT
SCHEMBL9242247 0.81 TAS2R8 (0.38) DHODHCYP11B1CYP11B2
SCHEMBL6183375 0.80 DHODH (0.33) DHODHEPHX2NAMPTSMYD3CYP17A1
SCHEMBL6180761 0.79 DHODH (0.35) DHODHEPHX2NAMPT
SCHEMBL6183936 0.79 DHODH (0.35) DHODHEPHX2NAMPT
SCHEMBL6182206 0.78 DHODH (0.32) DHODHIDO1EPHX2NAMPTSMYD3
SCHEMBL27513121 0.76 DHODH (0.46) DHODHEPHX2NAMPT
SCHEMBL8816974 0.73 PDE4D (0.38) EPHX2CYP17A1
SCHEMBL8816385 0.73 TAS1R3 (0.45) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP claimed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP claimed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US claimed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP claimed
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed