SCHEMBL9116568

SCHEMBL9116568

CC(C)Oc1c(Cl)ccc(C(=O)c2cnoc2C2CC2)c1S(C)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.31
SCN9A Q15858 3/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SCN5A Q14524 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
PTGDR Q13258 1/20 0.30

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
SCHEMBL8491946 0.89 DHODH (0.33) DHODHKDM4ENR1H4
SCHEMBL9116507 0.85 CNR2 (0.33) DHODHSCN9ASCN5A
SCHEMBL9116572 0.85 CNR2 (0.33) DHODHSCN9ANR1H4
SCHEMBL8885756 0.84 ALDH1A1 (0.33) DHODHNR1H4
SCHEMBL9114683 0.84 PTGS1 (0.33) DHODH
SCHEMBL9115789 0.84 PTAFR (0.32) DHODH
SCHEMBL7924451 0.84 DHODH (0.34) DHODH
SCHEMBL8886577 0.83 DHODH (0.35) DHODHSCN9A
SCHEMBL8488330 0.83 PDE2A (0.36) DHODH
SCHEMBL9115094 0.83 DHODH (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed