SCHEMBL9540238

SCHEMBL9540238

CCCCC1CC(C(=O)OCC)CC[N]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDK1 Q15118 1/20 0.33

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
SCHEMBL2061229 0.85 MAPT (0.37) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL2060734 0.84 MAPT (0.33) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL5010661 0.73 GAA (0.41) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL10393520 0.71 MAPT (0.50) MAPTALDH1A1KMT2AMEN1CYP2D6
SCHEMBL2255760 0.71 ALDH1A1 (0.44) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL10393521 0.71 MAPT (0.50) MAPTALDH1A1KMT2AMEN1CYP2D6
SCHEMBL1169394 0.71 MAPT (0.52) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL10556520 0.71 PKM (0.44) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL2417773 0.71 MAPT (0.45) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL9540234 0.71 GLB1 (0.39) MAPTALDH1A1KMT2AMEN1CYP3A4

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
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 WO disclosed