SCHEMBL8389679

SCHEMBL8389679

COc1ccccc1C(=O)N1OC(C2CC2)=C(Cl)C1[S+]([O-])CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK14 Q16539 1/20 0.41
POLB P06746 3/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 3/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
TYR P14679 1/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HSD11B1 P28845 1/20 0.38
PDE2A O00408 1/20 0.38
PDE3B Q13370 1/20 0.38
CCR5 P51681 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 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
SCHEMBL8388424 0.79 MGLL (0.42) MGLLCYP2C9CYP2C19MAPK14POLB
SCHEMBL8489221 0.63 SLC9A1 (0.40) MGLLLMNACYP3A4
SCHEMBL19766699 0.63 HTT (0.90) MGLLCYP2C9CYP2C19MAPK14POLB
SCHEMBL11714770 0.63 HTT (0.90) MGLLCYP2C9CYP2C19MAPK14POLB
SCHEMBL12766946 0.62 HTT (0.72) CYP2C9CYP2C19POLBHTTKDM4E
SCHEMBL17502718 0.62 HTT (0.62) MGLLCYP2C9CYP2C19MAPK14POLB
SCHEMBL17502708 0.61 HTT (0.57) MGLLCYP2C9CYP2C19MAPK14POLB
SCHEMBL2540114 0.60 HTT (0.90) CYP2C9CYP2C19MAPK14POLBHTT
SCHEMBL16015253 0.60 HTT (0.63) CYP2C9CYP2C19MAPK14POLBHTT
SCHEMBL17502656 0.60 HTT (0.62) MGLLCYP2C9CYP2C19MAPK14POLB

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