SCHEMBL7518780

SCHEMBL7518780

CC(SC(C)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.31
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
USP2 O75604 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30
GLA P06280 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
SCHEMBL7508238 0.84 GAA (0.50) GAATSHRATML3MBTL1POLB
SCHEMBL19937113 0.84 GAA (0.50) GAATSHRATML3MBTL1POLB
SCHEMBL12972581 0.84 GAA (0.50) GAATSHRATML3MBTL1POLB
SCHEMBL7708866 0.82 GAA (0.49) GAATSHRATML3MBTL1POLB
SCHEMBL31142 0.82 GAA (0.51) GAATSHRATML3MBTL1POLB
SCHEMBL25475352 0.81 GAA (0.47) GAATSHRATML3MBTL1POLB
SCHEMBL23871256 0.81 GAA (0.47) GAATSHRATML3MBTL1POLB
SCHEMBL19984611 0.79 GAA (0.46) GAATSHRATML3MBTL1POLB
SCHEMBL9617629 0.79 GAA (0.46) GAATSHRATML3MBTL1POLB
SCHEMBL26785335 0.79 GAA (0.49) GAATSHRATML3MBTL1POLB

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
WO-2002006392-A1 STABILIZER COMPOSITIONS COMPRSING A MONOMERIC DIHYDROPYRIDINE DERIVATIVE AND THEIR USE AKZO NOBEL N.V. (US) 2002-01-24 WO disclosed