SCHEMBL9575322

SCHEMBL9575322

C=CCOCC(COCC=C)OCOC(COCC=C)COCC=C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.46
CA7 P43166 1/20 0.45
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 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
SCHEMBL9575543 0.88 CA1 (0.38) CA1CA2CA9CA7
SCHEMBL151203 0.87 CA1 (0.48) CA1CA2CA9CA7ALDH1A1
SCHEMBL14874421 0.85 CA1 (0.46) CA1CA2CA9CA7ALDH1A1
SCHEMBL11286818 0.79 CA1 (0.50) CA1CA2CA9CA7ALDH1A1
SCHEMBL9019795 0.79 CA1 (0.38) CA1CA2CA9CA7ALDH1A1
SCHEMBL14780723 0.78 CA1 (0.41) CA1CA2CA9CA7
Ether SCHEMBL2426668 0.78 CA1 (0.41) CA1CA2CA9CA7MEN1
SCHEMBL4931536 0.75 CA1 (0.45) CA1CA2CA9CA7
SCHEMBL5689435 0.75 CA1 (0.42) CA1CA2CA9CA7
SCHEMBL87983 0.75 CA1 (0.45) CA1CA2CA9CA7

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-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed