SCHEMBL28349292

SCHEMBL28349292

COc1ccc(C(OCCNC(=O)C(NC(=O)CCCCCCCCCCC(=O)O)C(C)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ SLC6A1 P30531 2/20 0.37
▸ SLC6A11 P48066 1/20 0.37

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
SCHEMBL20996162 0.94 GAA (0.42) GAAITGB3ITGA2BHDAC6ALDH1A1
SCHEMBL20996163 0.94 GAA (0.42) GAAITGB3ITGA2BHDAC6ALDH1A1
SCHEMBL19463263 0.83 GAA (0.42) GAAITGB3ITGA2BHDAC6ALDH1A1
SCHEMBL20371134 0.81 GAA (0.45) GAAHDAC6ALDH1A1KMT2APDE4B
SCHEMBL28349581 0.79 HDAC6 (0.44) ITGB3ITGA2BHDAC6ALDH1A1SMN1; SMN2
SCHEMBL30910298 0.79 HDAC6 (0.44) ITGB3ITGA2BHDAC6ALDH1A1SMN1; SMN2
SCHEMBL31606446 0.79 GAA (0.45) GAAHDAC6ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12005099 0.78 PDE4B (0.51) KMT2ANPSR1PDE4BSLC6A1SLC6A11
SCHEMBL12004675 0.78 PDE4B (0.51) KMT2ANPSR1PDE4BSLC6A1SLC6A11
SCHEMBL12004703 0.78 PDE4B (0.51) KMT2ANPSR1PDE4BSLC6A1SLC6A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365662-A Method of treatment 盖纳万科学有限公司 2021-09-07 — — CN disclosed
CN-110741087-A Targeted compositions 阿布特斯生物制药公司 2020-01-31 — — CN disclosed
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