SCHEMBL8315816

SCHEMBL8315816

CC(C)(C)OC(=O)OC1CCCN1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
BTK Q06187 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SCN9A Q15858 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SCN5A Q14524 1/20 0.31
GAA P10253 1/20 0.31
EPHX1 P07099 2/20 0.30

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
SCHEMBL8315133 0.95 GAA (0.33) HPGDBTKCHRM2CHRM1CHRM3
SCHEMBL11166441 0.84 GLI1 (0.38)
SCHEMBL3694198 0.82 GABRP (0.31) CHRM2CHRM1CHRM3
SCHEMBL27508951 0.82 MEN1 (0.40) MEN1BLMKMT2A
SCHEMBL7590352 0.79
SCHEMBL29291158 0.79
SCHEMBL6223489 0.79 SLC6A3 (0.36) MEN1BLMKMT2A
SCHEMBL2330804 0.79 SLC6A3 (0.36) MEN1BLMKMT2A
SCHEMBL27478695 0.77 MEN1 (0.34) MEN1BLMKMT2A
Hydrochloric Acid SCHEMBL902096 0.77 ALDH1A1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623615-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-06-30 EP disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed