SCHEMBL1425838

SCHEMBL1425838

CC(C)(C)CC(C)(C)C(C)(C)C.O=C1C[C@@H]2CN(C(=O)O)C[C@@H]2C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.31
POLB P06746 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
SCHEMBL21821171 0.80 CHRNB2 (0.32) POLB
SCHEMBL3398592 0.80 CHRNB2 (0.32) POLB
SCHEMBL2745077 0.80 CHRNB2 (0.32) POLB
SCHEMBL16494829 0.78
SCHEMBL18701757 0.70 POLB (0.34) NR1H2POLB
SCHEMBL6106105 0.68 HSD11B1 (0.33)
SCHEMBL6106104 0.68 HSD11B1 (0.33)
SCHEMBL6106107 0.68 HSD11B1 (0.33)
SCHEMBL6108057 0.68 HSD11B1 (0.33)
SCHEMBL6108063 0.68 HSD11B1 (0.33)

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-2205589-B1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-03-23 EP disclosed