SCHEMBL27997752

SCHEMBL27997752

CCCCOC(=O)C1(C)CCN(C(=O)OCC)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HRH2 P25021 5/20 0.39
▸ HRH1 P35367 5/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL27969757 0.86 SMN1; SMN2 (0.42) POLBSMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL346648 0.83 SMN1; SMN2 (0.56) POLBSMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL4195731 0.82 POLB (0.55) POLBSMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL7002207 0.80 ALDH1A1 (0.53) POLBSMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL23199851 0.79 ALDH1A1 (0.47) POLBSMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL16748755 0.79 ALDH1A1 (0.47) POLBSMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL27842859 0.78 POLB (0.58) POLBSMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL29948489 0.78 POLB (0.54) POLBSMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL30237085 0.77 LMNA (0.50) POLBSMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL16391280 0.77 ALDH1A1 (0.45) POLBSMN1; SMN2LMNAL3MBTL1TSHR

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-104302645-A Antibacterial compounds BIOTA EUROPE LTD 2015-01-21 — — CN disclosed
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