SCHEMBL16063387

SCHEMBL16063387

C=CC(=O)NC(C)c1ccc(C#Cc2ccc(OCC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 20/20 1.00

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
SCHEMBL12000912 0.90 ACACB (0.81) ACACB
SCHEMBL16063360 0.85 ACACB (0.74) ACACB
SCHEMBL256519 0.84 ACACB (1.00) ACACB
SCHEMBL11998832 0.84 ACACB (1.00) ACACB
SCHEMBL165796 0.83 ACACB (1.00) ACACB
SCHEMBL256144 0.82 ACACB (1.00) ACACB
SCHEMBL256853 0.82 ACACB (1.00) ACACB
SCHEMBL16063354 0.82 ACACB (1.00) ACACB
SCHEMBL256117 0.81 ACACB (1.00) ACACB
SCHEMBL256815 0.80 ACACB (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 — — US disclosed
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