SCHEMBL19937451

SCHEMBL19937451

CC1(C)CC(CC(=O)CCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 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
SCHEMBL19397279 0.90 SMN1; SMN2 (0.42) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL317176 0.87 GAA (0.47) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL15672524 0.87 GAA (0.39) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL21764162 0.86 GAA (0.43) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL4412312 0.83 TSHR (0.45) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL19720344 0.82 GAA (0.39) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL3630829 0.81 GAA (0.43) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL13552035 0.81 GAA (0.43) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL316372 0.81 SMN1; SMN2 (0.47) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6299625 0.81 GAA (0.44) GAAHTTSMN1; SMN2MEN1KMT2A

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