SCHEMBL18427273

SCHEMBL18427273

CC(C)C(C)C(=O)OCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
ACACB O00763 1/20 0.44

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
SCHEMBL12363731 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDATML3MBTL1
SCHEMBL23870872 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDATML3MBTL1
SCHEMBL12986052 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDATML3MBTL1
SCHEMBL26784870 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDATML3MBTL1
SCHEMBL23871038 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDATML3MBTL1
SCHEMBL25475327 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDATML3MBTL1
SCHEMBL12985917 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDATML3MBTL1
Hydrochloric Acid SCHEMBL23803397 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDATML3MBTL1
SCHEMBL9244959 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDATML3MBTL1
SCHEMBL795218 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDATML3MBTL1

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-9555041-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-31 US disclosed