SCHEMBL9229601

SCHEMBL9229601

CC(C)(C)OC(=O)NCC1CCn2cc(-c3ccc(C(=O)C4CNCCC4OC(=O)OC(C)(C)C)cc3)nc2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ ACACB O00763 11/20 0.38
▸ ACACA Q13085 8/20 0.38
▸ TTK P33981 3/20 0.35
▸ IRAK1 P51617 1/20 0.34
▸ SUV39H2 Q9H5I1 2/20 0.33
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL8866469 0.81 ACACB (0.46) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866085 0.81 ACACB (0.54) CKS1BSKP1SKP2ACACBACACA
SCHEMBL9233214 0.80 NPC1L1 (0.41) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866576 0.79 TTK (0.38) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866088 0.76 ACACB (0.45) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866802 0.75 ACACB (0.42) CKS1BSKP1SKP2ACACBACACA
SCHEMBL9232532 0.75 ACACB (0.43) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866813 0.74 ACACB (0.51) CKS1BSKP1SKP2ACACBACACA
SCHEMBL9284320 0.71 SUV39H2 (0.38) SUV39H2
SCHEMBL8866569 0.71 CKS1B (0.35) CKS1BSKP1SKP2ACACBACACA

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-0668278-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1995-08-23 — — EP disclosed
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