SCHEMBL6633672

SCHEMBL6633672

CC(C)OC(=O)[C@@](C)(C(=O)[C@H]1NC(C)(C)CS1)N(c1ccc(OC(=O)N(C)C)cc1)S(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
HSD11B1 P28845 3/20 0.33
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL6633406 0.94
SCHEMBL6633373 0.91 HSD11B1 (0.33) HSD11B1BCHEACHE
SCHEMBL6634560 0.91 PGR (0.34) PGRNR1H2NR1H3BCHEACHE
SCHEMBL6631926 0.91 USP2 (0.33) ACHEMEN1KMT2A
SCHEMBL6633579 0.89 HSD11B1 (0.32) HSD11B1
SCHEMBL6634581 0.88
SCHEMBL6636818 0.88 PGR (0.33) PGRHSD11B1
SCHEMBL6635534 0.88 ALDH1A1 (0.33) MEN1KMT2A
SCHEMBL6635177 0.88 USP2 (0.32) BCHEACHE
SCHEMBL6634608 0.87 KMT2A (0.34) BCHEACHEMEN1KMT2A

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-1000051-B1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2004-05-19 EP claimed