SCHEMBL22796928

SCHEMBL22796928

CC(=O)OCOC(=O)C1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL27752052 0.85 ALDH1A1 (0.39) MAPTALDH1A1
SCHEMBL22799263 0.83 MAPT (0.43) MAPTALDH1A1KDM4EGAACYP3A4
SCHEMBL17928591 0.79 ALDH1A1 (0.47) ALDH1A1HTTMEN1KMT2A
SCHEMBL15790873 0.79 MAPT (0.46) MAPTALDH1A1KDM4EGAACYP3A4
SCHEMBL446501 0.79 MAPT (0.64) MAPTALDH1A1KDM4EGAACYP3A4
SCHEMBL1816298 0.79 MAPT (0.41) MAPTALDH1A1KDM4EGAACYP3A4
SCHEMBL1816297 0.79 MAPT (0.41) MAPTALDH1A1KDM4EGAACYP3A4
Iodide SCHEMBL30309834 0.78 MAPT (0.62) MAPTALDH1A1KDM4EGAACYP3A4
Hydrochloric Acid SCHEMBL9704969 0.78 MAPT (0.62) MAPTALDH1A1KDM4EGAACYP3A4
Hydrochloric Acid SCHEMBL27605420 0.78 MAPT (0.62) MAPTALDH1A1KDM4EGAACYP3A4

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-2020252151-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2020-12-17 WO disclosed