SCHEMBL6650231

SCHEMBL6650231

[CH2]C(CC)CCS(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.37
THRB P10828 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
S1PR1 P21453 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
MMP13 P45452 2/20 0.30
MMP1 P03956 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
SCHEMBL6646708 0.83 KMT2A (0.43) MMP13MMP1
SCHEMBL3510826 0.76 SOD1 (0.44) SOD1THRB
SCHEMBL878654 0.73 SOD1 (0.48) SOD1S1PR1
SCHEMBL10409513 0.70 SOD1 (0.46) SOD1THRBPGRS1PR1
SCHEMBL10409528 0.68 TRPV4 (0.40) SOD1NR3C1PGR
SCHEMBL8745524 0.67 SOD1 (0.50) SOD1PGRS1PR1
SCHEMBL28159313 0.67 SOD1 (0.40) SOD1THRBS1PR1
SCHEMBL23159246 0.66 SOD1 (0.35) SOD1NR3C1PGRNR3C2S1PR1
SCHEMBL4011416 0.66 CA2 (0.52) SOD1THRB
SCHEMBL6651429 0.66 SOD1 (0.34) SOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451191-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2004-09-01 EP disclosed
WO-2003050121-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed