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SCHEMBL1828591

SCHEMBL1828591

COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4nnn(C(C)C(C)(C)C(=O)O)n4)ccc2O3)nc2c(OC)cccc12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 13/20 0.48
▸ ACACA Q13085 8/20 0.48

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
SCHEMBL1812738 0.89 ACACB (0.47) ACACBACACA
SCHEMBL1838781 0.88 ACACB (0.47) ACACBACACA
SCHEMBL1827366 0.85 ACACB (0.45) ACACBACACA
SCHEMBL502560 0.85 ACACB (0.46) ACACBACACA
SCHEMBL1814574 0.84 ACACB (0.47) ACACBACACA
SCHEMBL1812715 0.82 ACACB (0.50) ACACBACACA
SCHEMBL1812747 0.82 HDAC3 (0.51) ACACBACACA
SCHEMBL1813893 0.81 ACACB (0.52) ACACBACACA
SCHEMBL1815197 0.81 ACACB (0.48) ACACBACACA
SCHEMBL1814429 0.81 ACACB (0.44) ACACBACACA

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
EP-1910375-B1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME (US) 2011-05-11 — — EP claimed