SCHEMBL24742540

SCHEMBL24742540

CC(C)(C)OC(=O)NCCCCOc1cc(-c2ccccc2)cc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 12/20 0.51
▸ CKS1B P61024 1/20 0.47
▸ SKP1 P63208 1/20 0.47
▸ SKP2 Q13309 1/20 0.47
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ SUCNR1 Q9BXA5 3/20 0.47
▸ STK17B O94768 1/20 0.46
▸ STK17A Q9UEE5 1/20 0.46

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
SCHEMBL24742223 0.79 CA12 (0.47) CA12CA1CA2CA9SUCNR1
SCHEMBL15037007 0.78 CA12 (0.55) CKS1BSKP1SKP2CA12CA1
SCHEMBL3531115 0.75 CA12 (0.50) CKS1BSKP1SKP2CA12CA1
SCHEMBL22917487 0.75 STK17B (0.49) CA12CA1CA2CA9STK17B
SCHEMBL24741781 0.74 CA12 (0.50) CA12CA1CA2CA9SUCNR1
SCHEMBL16065209 0.74 CA12 (0.50) CA12CA1CA2CA9STK17B
SCHEMBL16419777 0.74 CA12 (0.54) CA12CA1CA2CA9SUCNR1
SCHEMBL24741868 0.74 CKS1B (0.45) CKS1BSKP1SKP2CA12CA1
SCHEMBL22917474 0.73 STK17B (0.47) CA12CA1CA2CA9STK17B
SCHEMBL29911427 0.73 STK17B (0.47) CA12CA1CA2CA9STK17B

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
WO-2022206888-A1 CDK2 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-10-06 — — WO disclosed
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