Sugi Predict

Sugi Predict / Compounds / SCHEMBL11600545

SCHEMBL11600545

SCHEMBL11600545

[CH2]CCOCC(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ AOC3 Q16853 5/20 0.41
▸ RIPK1 Q13546 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BCAT2 O15382 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
SCHEMBL10682089 0.84 LMNA (0.48) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL4426990 0.83 LMNA (0.56) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL8151932 0.82 LMNA (0.47) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL10511898 0.81 LMNA (0.55) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL8482176 0.81 AOC3 (0.46) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL5214978 0.81 LMNA (0.45) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL10615156 0.79 LMNA (0.44) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL8837196 0.79 LMNA (0.44) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL12222364 0.79 LMNA (0.48) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL28207428 0.79 LMNA (0.44) LMNAKDM4EL3MBTL1AOC3RIPK1

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
US-4076930-A Polysaccharide polyols ELLINGBOE JAMES 1978-02-28 — — US disclosed