SCHEMBL28535595

SCHEMBL28535595

CCCCCC(CCC)(CCCC)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
CES2 O00748 3/20 0.37
FDPS P14324 7/20 0.35
GGPS1 O95749 4/20 0.35
SMPD1 P17405 1/20 0.35

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
SCHEMBL12776897 0.96 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2AATM
SCHEMBL12776899 0.96 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2AATM
SCHEMBL12776896 0.92 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2AATM
Phosphine SCHEMBL7158535 0.90 CES2 (0.42) ALDH1A1MEN1MAPTKMT2AATM
Phosphine SCHEMBL1535955 0.90 CES2 (0.42) ALDH1A1MEN1MAPTKMT2AATM
Ammonia Solution, Strong SCHEMBL2204884 0.90 CES2 (0.42) ALDH1A1MEN1MAPTKMT2AATM
Ammonia Solution, Strong SCHEMBL8065002 0.90 CES2 (0.42) ALDH1A1MEN1MAPTKMT2AATM
Ammonia Solution, Strong SCHEMBL29115109 0.90 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2AATM
SCHEMBL12776902 0.87 GAA (0.46) ALDH1A1GAAFDPS
SCHEMBL7528968 0.86 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2AATM

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-107920507-B Granular pesticide composition 组合化学工业株式会社 2021-05-14 CN disclosed
CN-107949278-B Granular pesticide composition 组合化学工业株式会社 2021-01-15 CN disclosed