SCHEMBL9847745

SCHEMBL9847745

O=C1C=Cc2c[nH]c(=O)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ADRA1A P35348 1/20 0.35

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
SCHEMBL21550076 0.76 GAA (0.50)
SCHEMBL6230840 0.73 GSK3A (0.50) GSK3AGSK3B
SCHEMBL5479958 0.72 GSK3A (0.48) GSK3AGSK3B
SCHEMBL28510714 0.72 GSK3A (0.48) GSK3AGSK3B
SCHEMBL18403857 0.68 GSK3A (0.43) GSK3AGSK3B
SCHEMBL21550132 0.67
SCHEMBL4709430 0.65 MEN1 (0.42) GSK3AGSK3B
SCHEMBL3320506 0.65 GSK3A (0.31) GSK3AGSK3B
SCHEMBL15353713 0.64 PTPRC (0.44) GSK3AGSK3B
SCHEMBL14251165 0.63 MEN1 (0.39) GSK3AGSK3B

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-0431452-A2 Method for the optical distinction of dental materials and material used in this method IVOCLAR AG (LI) 1991-06-12 EP disclosed