SCHEMBL7636898

SCHEMBL7636898

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ncc4sccn34)[C@H](C)[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.34
PTGS1 P23219 2/20 0.34
ESR1 P03372 1/20 0.34
PDE4A P27815 1/20 0.34
CHEK1 O14757 1/20 0.32
LIMK1 P53667 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCC2 Q92887 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
SCHEMBL7635730 1.00 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4ACHEK1
SCHEMBL7635380 0.84
SCHEMBL7636379 0.79 KDM4E (0.41) PTGS1ESR1CHEK1LIMK1DYRK1A
SCHEMBL7983393 0.79 CACNA1C (0.39) CACNA1CPTGS1ESR1PDE4AABCC2
SCHEMBL7983370 0.79 CACNA1C (0.39) CACNA1CPTGS1ESR1PDE4AABCC2
SCHEMBL7635372 0.77 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL7634714 0.76 CACNA1C (0.36) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL7637314 0.76 CACNA1C (0.36) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL7630479 0.76 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL7628267 0.73 IDO1 (0.36) CACNA1CPTGS1ESR1PDE4A

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-1022279-B1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2002-09-04 EP disclosed