SCHEMBL8866576

SCHEMBL8866576

CC(C)(C)OC(=O)NCCCCCC1CCn2cc(-c3ccc(C(=O)C4CNCCC4C(=O)O)cc3)nc2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.38
▸ TLR2 O60603 2/20 0.35
▸ TLR1 Q15399 2/20 0.35
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ SUCNR1 Q9BXA5 3/20 0.34
▸ ACACB O00763 2/20 0.34
▸ ACACA Q13085 2/20 0.34
▸ ACP1 P24666 3/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ DRD2 P14416 2/20 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
SCHEMBL9229601 0.79 CKS1B (0.38) TTKCKS1BSKP1SKP2ACACB
SCHEMBL8866569 0.78 CKS1B (0.35) TTKCKS1BSKP1SKP2ACACB
SCHEMBL8866085 0.74 ACACB (0.54) TTKCKS1BSKP1SKP2ACACB
SCHEMBL8866582 0.73 CKS1B (0.43) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866469 0.72 ACACB (0.46) TTKCKS1BSKP1SKP2ACACB
SCHEMBL9232532 0.70 ACACB (0.43) TTKCKS1BSKP1SKP2ACACB
SCHEMBL8866088 0.69 ACACB (0.45) TTKCKS1BSKP1SKP2ACACB
SCHEMBL8866022 0.68 SUV39H2 (0.40) ACACBACACA
SCHEMBL8866802 0.67 ACACB (0.42) CKS1BSKP1SKP2ACACBACACA
SCHEMBL21004115 0.67 TDP1 (0.52) NAMPTDRD2

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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