SCHEMBL8866482

SCHEMBL8866482

CC(C)(C)OC(=O)NCC1CCc2nc(-c3ccc(C(=O)OC(C)(C)C)cc3)cn2C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 12/20 0.47
▸ ACACA Q13085 9/20 0.47
▸ IRAK1 P51617 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ SUV39H2 Q9H5I1 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ TTK P33981 1/20 0.38

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
SCHEMBL8866508 0.93 ACACB (0.56) ACACBACACAIRAK1CKS1BSKP1
SCHEMBL8867046 0.87 ACACB (0.45) ACACBACACAIRAK1TTK
SCHEMBL8866469 0.86 ACACB (0.46) ACACBACACAIRAK1CKS1BSKP1
SCHEMBL8866425 0.85 ACACB (0.42) ACACBACACAIRAK1CKS1BSKP1
SCHEMBL8867021 0.84 ACACB (0.50) ACACBACACAIRAK1CKS1BSKP1
SCHEMBL9233943 0.84 ACACB (0.41) ACACBACACAIRAK1CKS1BSKP1
SCHEMBL8866814 0.80 ACACB (0.49) ACACBACACAIRAK1
SCHEMBL4589317 0.79 ACACB (0.46) ACACBACACAIRAK1CKS1BSKP1
SCHEMBL4589336 0.79 ACACB (0.42) ACACBACACAIRAK1CKS1BSKP1
SCHEMBL8866085 0.78 ACACB (0.54) ACACBACACAIRAK1CKS1BSKP1

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-5614531-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 — — US disclosed
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