SCHEMBL8524334

SCHEMBL8524334

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)cc1-n1nccn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.43
HCRTR1 O43613 11/20 0.43
CYP3A4 P08684 2/20 0.39
MLYCD O95822 1/20 0.37
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36

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
SCHEMBL8817056 0.87 MLYCD (0.41) MLYCDMAPTPTGDR2
SCHEMBL8525706 0.87 LMNA (0.37) HCRTR2HCRTR1MLYCDMAPTPTGDR2
SCHEMBL8524250 0.87 LMNA (0.37) HCRTR2HCRTR1MLYCDMAPTPTGDR2
SCHEMBL8488086 0.86 MLYCD (0.40) MLYCDMAPTPTGDR2
SCHEMBL8525868 0.85 LMNA (0.37) HCRTR2HCRTR1MLYCDPTGDR2
SCHEMBL8525752 0.84 NR1H4 (0.41) HCRTR2HCRTR1CYP3A4MLYCD
SCHEMBL7613973 0.83 MLYCD (0.41) MLYCDMAPTPTGDR2
SCHEMBL8818366 0.83 PTGDR2 (0.37) HCRTR2MLYCDMAPTPTGDR2
SCHEMBL6054776 0.82 MLYCD (0.38) MLYCDMAPTPTGDR2
SCHEMBL8817022 0.82 MLYCD (0.36) MLYCDMAPTPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed