SCHEMBL9323751

SCHEMBL9323751

NC1C=CC=C2CC(=O)C=CC21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL9243560 0.75
SCHEMBL6166991 0.74 NFKB1 (0.30)
SCHEMBL3842546 0.64 GSK3A (0.32) GSK3AGSK3B
SCHEMBL2779617 0.63 GSK3A (0.31) GSK3AGSK3B
SCHEMBL10824454 0.62 GSK3A (0.30) GSK3AGSK3B
SCHEMBL9320860 0.62
SCHEMBL5054880 0.60
SCHEMBL9564499 0.58 GSK3A (0.30) GSK3AGSK3B
SCHEMBL10450111 0.57 GSK3A (0.32) GSK3AGSK3B
SCHEMBL4223602 0.56 SUV39H1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359519-B1 A process for producing carbamic acid esters BABCOCK HITACHI KK (JP) 1994-02-02 EP disclosed
US-5101062-A Reacting an amine, oxygen, a nitro compound, carbon monoxide, and alcohol in the presence of a transition metal catalyst, non-metal halide and water BABCOCK-HITACHI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed
EP-0359519-A1 A process for producing carbamic acid esters BABCOCK-HITACHI KABUSHIKI KAISHA (JP) 1990-03-21 EP disclosed