SCHEMBL28499079

SCHEMBL28499079

CC(C)CCC[C@@H](C)CCN1CCCCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL175247 1.00 PIK3CD (0.47) PIK3CDLMNAL3MBTL1KMT2AMEN1
SCHEMBL119861 1.00 PIK3CD (0.47) PIK3CDLMNAL3MBTL1KMT2AMEN1
SCHEMBL7591221 0.91 PIK3CD (0.45) PIK3CDLMNAL3MBTL1KMT2AMEN1
SCHEMBL28358784 0.87 PIK3CD (0.42) PIK3CDL3MBTL1KMT2AMEN1PKM
SCHEMBL5069393 0.85 PIK3CD (0.55) PIK3CDLMNAL3MBTL1KMT2AMEN1
SCHEMBL12197894 0.85 PIK3CD (0.58) PIK3CDLMNAL3MBTL1KMT2AMEN1
SCHEMBL628723 0.84 PIK3CD (0.50) PIK3CDLMNAL3MBTL1KMT2AMEN1
SCHEMBL9812335 0.84 PIK3CD (0.50) PIK3CDLMNAL3MBTL1KMT2AMEN1
SCHEMBL19732459 0.83 PIK3CD (0.47) PIK3CDLMNAL3MBTL1KMT2AMEN1
SCHEMBL5914541 0.81 PIK3CD (0.49) PIK3CDLMNAL3MBTL1KMT2AMEN1

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
CN-112057626-A Methods and compositions for treating peripheral neuropathy 曼尼托巴大学 2020-12-11 CN disclosed