SCHEMBL9232532

SCHEMBL9232532

CC(C)(C)OC(=O)NCC1CCn2cc(-c3ccc(C(=O)NC4CCN[C@@H]4C(=O)O)cc3)nc2C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 12/20 0.43
▸ ACACA Q13085 10/20 0.43
▸ TTK P33981 5/20 0.41
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL8866085 0.84 ACACB (0.54) ACACBACACATTKCKS1BSKP1
SCHEMBL8866469 0.82 ACACB (0.46) ACACBACACATTKCKS1BSKP1
SCHEMBL8866088 0.80 ACACB (0.45) ACACBACACATTKCKS1BSKP1
SCHEMBL8866813 0.78 ACACB (0.51) ACACBACACACKS1BSKP1SKP2
SCHEMBL8866802 0.76 ACACB (0.42) ACACBACACACKS1BSKP1SKP2
SCHEMBL9233214 0.75 NPC1L1 (0.41) ACACBACACATTKCKS1BSKP1
SCHEMBL9229601 0.75 CKS1B (0.38) ACACBACACATTKCKS1BSKP1
SCHEMBL8866714 0.72 ACACB (0.50) ACACBACACACKS1BSKP1SKP2
SCHEMBL8866508 0.71 ACACB (0.56) ACACBACACATTKCKS1BSKP1
SCHEMBL8866576 0.70 TTK (0.38) ACACBACACATTKCKS1BSKP1

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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