SCHEMBL4612245

SCHEMBL4612245

CC(CN(C[C@H](C)N)C(=O)OCc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
SLC15A1 P46059 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR5 P51681 2/20 0.36
FPR1 P21462 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABCB1 P08183 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
SCHEMBL3220050 1.00 CCR6 (0.39) CCR6PAX8ALDH1A1CA12CA1
SCHEMBL3220065 1.00 CCR6 (0.39) CCR6PAX8ALDH1A1CA12CA1
SCHEMBL3221814 0.80 SYK (0.46) ALDH1A1CA12CA1LMNAMEN1
SCHEMBL3221836 0.80 SYK (0.46) ALDH1A1CA12CA1LMNAMEN1
SCHEMBL4611303 0.78 CA1 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL19541343 0.75 ALDH1A1 (0.49) ALDH1A1SLC15A1LMNAMEN1KMT2A
SCHEMBL7761190 0.75 ABCB1 (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL13494184 0.74 ALDH1A1 (0.44) CCR6PAX8ALDH1A1PTGDR2KMT2A
SCHEMBL27464981 0.72 CCR6 (0.40) CCR6PAX8ALDH1A1CA12CA1
SCHEMBL22402324 0.72 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA9

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