SCHEMBL751446

SCHEMBL751446

O=C(O)C1c2ccccc2Sc2ccccc21.[Mo]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.50
GRM5 P41594 2/20 0.47
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
BCHE P06276 6/20 0.40
ACHE P22303 3/20 0.40
EDNRA P25101 1/20 0.39
NOX1 Q9Y5S8 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.37
CD69 Q07108 1/20 0.36

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
SCHEMBL5756547 0.98 GRM1 (0.51) GRM1GRM5ALDH1A1GAABCHE
SCHEMBL6324783 0.85 ALDH1A1 (0.42) GRM1GRM5ALDH1A1GAAEDNRA
SCHEMBL8813838 0.83 BCHE (0.46) GRM1GRM5BCHEACHENOX1
SCHEMBL27503672 0.83 GRM1 (0.45) GRM1GRM5ALDH1A1GAABCHE
SCHEMBL8814780 0.82 GRM1 (0.43) GRM1GRM5ALDH1A1GAABCHE
SCHEMBL11823616 0.82 GRM1 (0.45) GRM1GRM5ALDH1A1GAABCHE
SCHEMBL6970747 0.81 GRM1 (0.42) GRM1GRM5ALDH1A1GAABCHE
SCHEMBL8817077 0.81 GRM1 (0.40) GRM1GRM5ALDH1A1GAANOX1
SCHEMBL10355854 0.79 EDNRA (0.50) ALDH1A1EDNRALMNAMEN1KMT2A
SCHEMBL11527593 0.79 EDNRA (0.50) ALDH1A1EDNRALMNAMEN1KMT2A

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
EP-1354933-B1 Lubricating oil compositions compatible with the seals of internal combustion engines INFINEUM INT LTD (GB) 2012-03-21 EP claimed