SCHEMBL10188625

SCHEMBL10188625

COCCn1ccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)cc1=O

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
SCHEMBL255785 0.89 ACACB (1.00) ACACB
SCHEMBL10188604 0.87 ACACB (1.00) ACACB
SCHEMBL12001645 0.86 ACACB (0.76) ACACB
SCHEMBL10188607 0.86 ACACB (1.00) ACACB
SCHEMBL10188603 0.86 ACACB (1.00) ACACB
SCHEMBL10188606 0.81 ACACB (1.00) ACACB
SCHEMBL256288 0.77 ACACB (1.00) ACACB
SCHEMBL11998538 0.76 ACACB (1.00) ACACB
SCHEMBL256252 0.76 ACACB (1.00) ACACB
SCHEMBL173489 0.76 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 3 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
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — WO disclosed
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