SCHEMBL13508227

SCHEMBL13508227

CC1(C)CC(NC(=O)C(C)(C)NC2CC(C)(C)CC(C)(C)C2)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 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
SCHEMBL250845 0.81 GAA (0.51) ALDH1A1GAA
SCHEMBL10156193 0.79 HDAC4 (0.37) ALDH1A1GAA
SCHEMBL20462579 0.75 ALDH1A1 (0.44) TSHRALDH1A1GAAPDK1PDK2
SCHEMBL14679460 0.72 TSHR (0.45) TSHRALDH1A1
SCHEMBL13123812 0.71 HDAC4 (0.33)
SCHEMBL22045518 0.71 TSHR (0.44) TSHRALDH1A1GAA
SCHEMBL12942559 0.69 TSHR (0.68) TSHRALDH1A1GAA
SCHEMBL10154650 0.68 TSHR (0.59) TSHRALDH1A1GAA
SCHEMBL25697715 0.68 TSHR (0.41) TSHRALDH1A1
SCHEMBL12963729 0.67 TSHR (0.39) TSHRGAA

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-20100048773-A1 AGRICULTURAL ARTICLES BONORA MICHELA 2010-02-25 US disclosed