SCHEMBL8531191

SCHEMBL8531191

CC(C)[C@@H]1CC(=O)C=CO1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.33
TNKS2 Q9H2K2 4/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL8535407 0.71
SCHEMBL613700 0.71
SCHEMBL8532549 0.71
SCHEMBL28860808 0.69
SCHEMBL13266229 0.67
SCHEMBL15496326 0.67
SCHEMBL2990170 0.67 NFKB1 (0.32) TNKSTNKS2
SCHEMBL14498908 0.67 NFKB1 (0.32) TNKSTNKS2
SCHEMBL6752334 0.65 TNKS (0.36) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL6727052 0.65 TNKS (0.36) TNKSTNKS2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230125-B1 Methods of performing cycloadditions, reaction mixtures, and methods of performing asymmetric catalytic reactions THE UNIVERSITY OF CHICAGO (US) 2007-06-12 US disclosed
US-5767295-A REACTING ALDEHYDE WITH SILANOL-SUBSTITUTED BUTADIENE IN THE PRESENCE OF A LEWIS ACID KANEKA CORPORATION (JP) 1998-06-16 US disclosed