SCHEMBL19937282

SCHEMBL19937282

CC(CC(=O)CC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4960651 0.83 GAA (0.40) GAAHTTCYP2D6LMNA
SCHEMBL4960656 0.83 GAA (0.40) GAAHTTCYP2D6LMNA
SCHEMBL12368549 0.80 GAA (0.42) GAAHTTCYP2D6LMNA
SCHEMBL26083008 0.79 GAA (0.41) GAAHTTCYP2D6LMNA
SCHEMBL16790838 0.78 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL19884574 0.77 GAA (0.36) GAAHTTCYP2D6LMNA
SCHEMBL19884609 0.77 GAA (0.36) GAAHTTCYP2D6LMNA
SCHEMBL20739517 0.77 GAA (0.40) GAAHTTCYP2D6LMNA
SCHEMBL13554332 0.76 GAA (0.36) GAAHTTCYP2D6LMNA
SCHEMBL21764162 0.76 GAA (0.43) GAAHTT

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-2514800-B2 Compounds and liquid crystalline medium MERCK PATENT GMBH (DE) 2018-03-07 EP disclosed