SCHEMBL22904497

SCHEMBL22904497

CC(C)(C)OC(=O)NCCCCCCCCCc1ccc(Oc2cccc3c2C(=O)NC(=O)C3=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA12 O43570 4/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ CCNB2 O95067 1/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL22904156 0.86 IDO1 (0.43) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904277 0.84 DRD2 (0.42) CA1CA2CA12CA9POLB
SCHEMBL22904407 0.84 DRD2 (0.42) CA1CA2CA12CA9POLB
SCHEMBL22904279 0.84 DRD2 (0.42) CA1CA2CA12CA9POLB
SCHEMBL22904278 0.81 ADORA3 (0.41) CA1CA2CA12CA9PDPK1
SCHEMBL22904406 0.80 DRD2 (0.43) CA1CA2CA12CA9DRD2
SCHEMBL22904494 0.79 PDPK1 (0.42) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904495 0.79 PDPK1 (0.42) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904147 0.76 MAOB (0.38) —
SCHEMBL22102023 0.72 NPSR1 (0.61) IDO1POLBGAANPSR1SIGMAR1

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-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
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