SCHEMBL9728579

SCHEMBL9728579

CC1(C)CC(OC(=O)C(CCC(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
HTT P42858 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
ST6GAL1 P15907 1/20 0.30

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
SCHEMBL997178 0.92 GAA (0.41) GAAHTT
SCHEMBL184910 0.90 GAA (0.39) GAAHTT
SCHEMBL10618484 0.90 GAA (0.39) GAAHTT
SCHEMBL1333127 0.90 GAA (0.39) GAAHTT
SCHEMBL818892 0.86 GAA (0.44) GAAHTT
SCHEMBL7768598 0.82 CYP1A2 (0.37) GAAHTTGRIN1GRIN2B
SCHEMBL28729539 0.81 GAA (0.38) GAA
SCHEMBL28375219 0.81 GAA (0.38) GAA
SCHEMBL996506 0.78 GAA (0.48) GAAHTT
SCHEMBL30644779 0.75 GAA (0.48) 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
US-5167844-A Stabilized against thermal and oxidative degradation CIBA-GEIGY CORPORATION (US) 1992-12-01 US disclosed