SCHEMBL18551213

SCHEMBL18551213

CNC(C)c1ccc(C#CCOCCCOCI)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 18/20 0.34
▸ KCNH2 Q12809 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL20324201 0.88 ACACB (0.39) ACACB
SCHEMBL24920843 0.85 ACACB (0.33) ACACBKCNH2
SCHEMBL18611812 0.83 ACACB (0.41) ACACB
SCHEMBL22047351 0.83 ACACB (0.41) ACACB
SCHEMBL18611814 0.83 ACACB (0.41) ACACB
SCHEMBL18551220 0.81 ACACB (0.34) ACACBALDH1A1
SCHEMBL19604932 0.76 ACACB (0.38) ACACB
SCHEMBL26748742 0.76 ACACB (0.38) ACACB
SCHEMBL19604991 0.75 ACACB (0.41) ACACB
SCHEMBL18591766 0.73 ACACB (0.33) ACACB

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
WO-2017030814-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2017-02-23 — — WO disclosed
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