SCHEMBL14620132

SCHEMBL14620132

C/C(=C\c1coc(C)n1)[C@@H](O)CC=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33

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
SCHEMBL14620465 0.78
SCHEMBL14619956 0.78
SCHEMBL2167997 0.73 HDAC3 (0.38) HDAC3
SCHEMBL2168005 0.73 HDAC3 (0.38) HDAC3
SCHEMBL14619955 0.72
SCHEMBL4141187 0.67 HDAC3 (0.37) HDAC3
SCHEMBL2818539 0.62 MEN1 (0.37) HDAC3
SCHEMBL31205758 0.62 HDAC3 (0.42) HDAC3
SCHEMBL29208074 0.59
SCHEMBL23727494 0.59

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-7173137-B2 Epothilone analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-06 US disclosed