SCHEMBL623565

SCHEMBL623565

O=C(O)C(OCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)C2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.39
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
SCN9A Q15858 10/20 0.36
SCN5A Q14524 4/20 0.36
CA2 P00918 1/20 0.36
LNPEP Q9UIQ6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.34
RAB9A P51151 1/20 0.34
SCN7A Q01118 1/20 0.34

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
SCHEMBL624778 0.81 GCK (0.63) GCK
SCHEMBL622602 0.75 GCK (0.50) GCKSCN9ASCN5A
SCHEMBL623546 0.75 GCK (0.40) GCK
SCHEMBL624697 0.71 GCK (0.50) GCKLNPEP
SCHEMBL184640 0.71 GCK (0.50) GCK
SCHEMBL625450 0.71 GCK (0.47) GCK
SCHEMBL624577 0.70 GCK (0.49) GCKLNPEP
SCHEMBL184712 0.69 GCK (0.62) GCK
SCHEMBL197390 0.68 GCK (0.50) GCK
SCHEMBL184731 0.68 GCK (0.50) GCKSMN1; SMN2RAB9A

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-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed