SCHEMBL8866569

SCHEMBL8866569

CCCCC1c2nc(-c3ccc(C(=O)C4CNCCC4C(=O)O)cc3)cn2CCC1CNC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ ACACB O00763 9/20 0.34
▸ ACACA Q13085 6/20 0.34
▸ TTK P33981 5/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.31

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
SCHEMBL8866576 0.78 TTK (0.38) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866582 0.73 CKS1B (0.43) CKS1BSKP1SKP2ACACBACACA
SCHEMBL9229601 0.71 CKS1B (0.38) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866022 0.68 SUV39H2 (0.40) ACACBACACA
SCHEMBL8866617 0.68 ACACB (0.51) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866062 0.66 ACACB (0.43) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866085 0.65 ACACB (0.54) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866469 0.63 ACACB (0.46) CKS1BSKP1SKP2ACACBACACA
SCHEMBL9229561 0.62 ACACB (0.41) CKS1BSKP1SKP2ACACBACACA
SCHEMBL8866094 0.62 ACACB (0.45) 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
US-5614531-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 — — US disclosed
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