SCHEMBL11465613

SCHEMBL11465613

CN1C(C)(C)CC(C(C(=O)O)(C(=O)OC2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
TSHR P16473 2/20 0.30
KMT2A Q03164 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
SCHEMBL4573356 0.77 TSHR (0.37) TSHR
SCHEMBL21163061 0.76 GAA (0.47) GAATSHRKMT2A
SCHEMBL21162844 0.76 GAA (0.47) GAATSHRKMT2A
SCHEMBL27229966 0.75 GAA (0.34) GAA
SCHEMBL13588319 0.73 GAA (0.43) GAATSHRKMT2A
SCHEMBL13875068 0.73 GAA (0.43) GAATSHRKMT2A
SCHEMBL15961515 0.73 GAA (0.43) GAATSHRKMT2A
SCHEMBL20434798 0.73 GAA (0.43) GAATSHRKMT2A
SCHEMBL452307 0.72 GAA (0.39) GAATSHRKMT2A
SCHEMBL5046028 0.71 GAA (0.51) GAATSHRKMT2A

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-4238613-A IMPARTING PHOTOSTABILITY AND OXIDATION AND HEAT RESISTANCE TO PLASTICS CIBA-GEIGY CORPORATION (US) 1980-12-09 US disclosed