SCHEMBL1111013

SCHEMBL1111013

CC1CC(C)C(=O)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
ACHE P22303 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL873396 0.86
SCHEMBL11124640 0.75
SCHEMBL16657577 0.72
SCHEMBL2692834 0.72
SCHEMBL18588303 0.72
SCHEMBL20924714 0.69 UCHL1 (0.40) ACHE
SCHEMBL5609689 0.69
SCHEMBL12317719 0.68 MAPT (0.32)
SCHEMBL1238782 0.67 CA1 (0.38) CA1CA2CA4KMT2ASMN1; SMN2
SCHEMBL8317066 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279291-A2 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2011-02-02 EP disclosed
WO-2009126290-A2 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2009-10-15 WO disclosed