SCHEMBL28201031

SCHEMBL28201031

O=[Sn].[CH2]CCC.[CH2]CCCO

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL28072753 0.88
SCHEMBL28227351 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
Alcohol SCHEMBL28213232 0.82
1,4-Butanediol SCHEMBL28190490 0.82 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
1,3-Propanediol SCHEMBL28115866 0.82
SCHEMBL28857247 0.82
Butyl Alcohol SCHEMBL7417514 0.79
SCHEMBL28161203 0.78
SCHEMBL5199 0.78
Butyl Alcohol SCHEMBL1116182 0.76

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-107567477-A Pull tab for food and/or beverage can PPG工业俄亥俄公司 2018-01-09 CN disclosed