SCHEMBL9115789

SCHEMBL9115789

CCCOc1c(Cl)ccc(C(=O)c2cnoc2C2CC2)c1S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.32
DHODH Q02127 2/20 0.31
PDE2A O00408 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
SCHEMBL9116507 0.91 CNR2 (0.33) DHODHPDE2A
SCHEMBL8886577 0.88 DHODH (0.35) DHODH
SCHEMBL8491946 0.87 DHODH (0.33) DHODHPDE2A
SCHEMBL9116572 0.87 CNR2 (0.33) DHODHPDE2A
SCHEMBL9283783 0.87 DHODH (0.31) DHODH
SCHEMBL9116275 0.86 DHODH (0.33) DHODH
SCHEMBL9116568 0.84 DHODH (0.31) DHODH
SCHEMBL9115647 0.84 DHODH (0.33) DHODHPDE2A
SCHEMBL9114683 0.83 PTGS1 (0.33) DHODH
SCHEMBL7924451 0.82 DHODH (0.34) DHODHPDE2A

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