SCHEMBL4611303

SCHEMBL4611303

CC(N)CN(C(=O)OCc1ccccc1)C(I)C(C)OS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
SLC15A1 P46059 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 3/20 0.37
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR5 P51681 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3220065 0.78 CCR6 (0.39) CA1CA2CA12CA9SLC15A1
SCHEMBL3220050 0.78 CCR6 (0.39) CA1CA2CA12CA9SLC15A1
SCHEMBL4612245 0.78 CCR6 (0.39) CA1CA2CA12CA9SLC15A1
SCHEMBL28441928 0.73 MEN1 (0.39) CA1CA2CA12CA9SLC15A1
SCHEMBL19541343 0.73 ALDH1A1 (0.49) SLC15A1MEN1KMT2AALDH1A1SLC1A3
SCHEMBL28619523 0.72 CA2 (0.48) CA1CA2CA12CA9MEN1
SCHEMBL7761190 0.72 ABCB1 (0.48) CA1CA2CA12CA9KMT2A
SCHEMBL28434500 0.70 CA2 (0.51) CA1CA2CA12CA9MEN1
SCHEMBL13684205 0.70 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL22402324 0.70 ALDH1A1 (0.51) CA1CA2CA12CA9MEN1

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-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO disclosed