SCHEMBL29967445

SCHEMBL29967445

CC(C)(C)OC(=O)NCCNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
AAK1 Q2M2I8 2/20 0.48
USP30 Q70CQ3 2/20 0.47
BCHE P06276 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
LATS1 O95835 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP3A4 P08684 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL19195067 1.00 DGAT1 (0.50) DGAT1PRMT5WDR77AAK1USP30
SCHEMBL21464703 0.86 PRMT5 (0.46) DGAT1PRMT5WDR77AAK1USP30
SCHEMBL16947773 0.84 DGAT1 (0.50) DGAT1PRMT5WDR77AAK1USP30
SCHEMBL860377 0.83 DGAT1 (0.53) DGAT1PRMT5WDR77AAK1USP30
SCHEMBL18530350 0.83 DGAT1 (0.60) DGAT1PRMT5WDR77AAK1USP30
SCHEMBL30117289 0.82 PRMT5 (0.56) DGAT1PRMT5WDR77AAK1USP30
SCHEMBL16947772 0.82 PRMT5 (0.56) DGAT1PRMT5WDR77AAK1USP30
SCHEMBL24811141 0.82 USP30 (0.56) DGAT1PRMT5WDR77AAK1USP30
SCHEMBL29891611 0.80 STK17B (0.48) DGAT1PRMT5WDR77AAK1USP30
SCHEMBL24814016 0.79 USP30 (0.54) DGAT1PRMT5WDR77AAK1USP30

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-4061800-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Infex Therapeutics Limited (GB) 2022-09-28 EP disclosed