SCHEMBL8390891

SCHEMBL8390891

C[S+]([O-])C1C(Cl)=C(C2CC2)ON1C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
P2RX7 Q99572 2/20 0.37
CCR5 P51681 1/20 0.37
HSD11B1 P28845 1/20 0.36
NPY2R P49146 1/20 0.36
RBP4 P02753 1/20 0.36
CHRM1 P11229 1/20 0.35
SCD O00767 1/20 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
SCHEMBL8389458 0.80 MGLL (0.41) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL8391795 0.72 CYP2C9 (0.39) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL8389679 0.71 MGLL (0.41) MGLLCYP2C9CYP2C19MAPK14CCR5
SCHEMBL8491664 0.64
SCHEMBL8494772 0.63 CNR2 (0.36) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL21740905 0.62 CYP2C9 (0.63) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4618974 0.62 CYP2C9 (0.66) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL13983799 0.61 SCD (0.62) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL12894564 0.61 SCD (0.59) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL29783896 0.61 CYP2C9 (0.68) MGLLCYP2C9CYP2C19HTR2BMAPK14

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
US-5856274-A 4-benzoyl isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-05 US disclosed