SCHEMBL6838800

SCHEMBL6838800

CC1CCC(C)(C(=O)C2(C)CCC(C)C(=O)CCC(C)C(=O)CC(C)C2=O)C(=O)C(C)CC(=O)C(C)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.31

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
SCHEMBL12602390 0.69 CA1 (0.65) CA1CA2CA4KMT2ACYP3A4
SCHEMBL20658012 0.68 SMN1; SMN2 (0.36) KMT2A
SCHEMBL16657572 0.66
SCHEMBL2174072 0.66
SCHEMBL20547768 0.66
SCHEMBL7751293 0.59 CA1 (0.42) CA1CA2CA4KMT2ACYP3A4
SCHEMBL21147818 0.59 CA1 (0.41) CA1CA2CA4KMT2A
SCHEMBL13865279 0.59 CA1 (0.41) CA1CA2CA4KMT2A
SCHEMBL21147819 0.59 CA1 (0.41) CA1CA2CA4KMT2A
SCHEMBL19545969 0.59 CA1 (0.41) CA1CA2CA4KMT2A

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-20040097397-A1 Perfume composition with enhanced viscosity and process for their preparation MOHR BERNHARD (DE) 2004-05-20 US disclosed