SCHEMBL8463169

SCHEMBL8463169

CC1(C)CCC(=O)C(C)(C)N1O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.32

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
SCHEMBL243699 0.78 MAPT (0.43) ALDH1A1KDM4EGAAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL4957370 0.76 MAPT (0.46) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL5334110 0.74 TSHR (0.32) ALDH1A1MAPT
SCHEMBL108784 0.74
Hydrochloric Acid SCHEMBL4445454 0.74 MAPT (0.41) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL22832640 0.73
SCHEMBL23285262 0.71 MAPT (0.33) GAAMAPT
SCHEMBL14104841 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20650993 0.68 KDM4E (0.37) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL8663450 0.67

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
EP-0912471-A1 POLYMERISATION INHIBITOR A.H. Marks & Co. Limited (GB) 1999-05-06 EP claimed
WO-1998002400-A1 POLYMERISATION INHIBITOR A.H. MARKS AND COMPANY LIMITED (GB) 1998-01-22 WO claimed
US-9640797-B2 Polymer serving as an electrode material for lithium secondary batteries COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-05-02 US disclosed