SCHEMBL6065092

SCHEMBL6065092

CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cnn(CCO)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
BCHE P06276 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
IDO1 P14902 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
AKT1 P31749 1/20 0.33
DRD2 P14416 1/20 0.33
RORC P51449 2/20 0.32
SCN9A Q15858 1/20 0.32
SCD O00767 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNA5 P22460 1/20 0.32

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
SCHEMBL6065295 0.90 IDO1 (0.33) MALT1BCHECKS1BSKP1SKP2
SCHEMBL6427256 0.90 BCHE (0.35) MALT1BCHECKS1BSKP1SKP2
SCHEMBL3112862 0.89 MAPK1 (0.30)
SCHEMBL28758008 0.83 SCN9A (0.32) SCN9A
SCHEMBL6066213 0.81 TDP1 (0.36) ITGA4ITGB7MALT1IDO1MEN1
SCHEMBL27641140 0.81 ACSS2 (0.32)
SCHEMBL6065063 0.81 MEN1 (0.30) MEN1KMT2A
SCHEMBL3114245 0.79 SLC6A1 (0.33)
SCHEMBL3121409 0.79 CTSS (0.37) CKS1BSKP1SKP2AKT1RORC
SCHEMBL3123213 0.78 NTRK1 (0.35) MEN1GAAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1852715-A Cephem compounds ASTELLAS PHARMA INC (JP) 2006-10-25 CN disclosed
EP-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
WO-2005027909-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2005-03-31 WO disclosed