SCHEMBL28801681

SCHEMBL28801681

CCOC1CCCCN1CC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL28025930 0.94 ALDH1A1 (0.34) ALDH1A1THRBL3MBTL1SIGMAR1
SCHEMBL27977764 0.81 HRH3 (0.33) ALDH1A1
SCHEMBL27793814 0.81 MAPK1 (0.33) ALDH1A1
SCHEMBL27991953 0.80 S1PR1 (0.35) ALDH1A1L3MBTL1
SCHEMBL21274167 0.78
SCHEMBL14215996 0.77 CYP1A2 (0.38) ALDH1A1THRBATML3MBTL1
SCHEMBL5533905 0.76
SCHEMBL4635197 0.75 ALDH1A1 (0.33) ALDH1A1THRBATML3MBTL1
Hydrochloric Acid SCHEMBL28297019 0.75 CYP1A2 (0.37) ALDH1A1THRBATML3MBTL1
SCHEMBL6659880 0.75 ALDH1A1 (0.31) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104781977-A Electrochemical energy storage device PANASONIC CORP 2015-07-15 CN disclosed
CN-104756301-A Electrochemical energy storage device PANASONIC CORP 2015-07-01 CN disclosed
CN-102993118-A Piperidine-containing ionic liquid and preparation method thereof, and electrolyte and application thereof OCEANS KING LIGHTING SCIENCE 2013-03-27 CN disclosed