SCHEMBL8345779

SCHEMBL8345779

NCC(C(=O)OCc1ccccc1)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
CA12 O43570 2/20 0.49
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HCAR2 Q8TDS4 1/20 0.42
CDC25B P30305 1/20 0.42
LTA4H P09960 1/20 0.42
LAP3 P28838 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28135738 0.85 ALDH1A1 (0.49) CA1CA2CA9CA12ALDH1A1
SCHEMBL6128323 0.84 ALDH1A1 (0.54) CA1CA2CA9CA12ALDH1A1
SCHEMBL6674072 0.83 ALDH1A1 (0.53) CA1CA2CA9CA12ALDH1A1
SCHEMBL8809974 0.80 RAB9A (0.49) CA1CA2CA9CA12ALDH1A1
SCHEMBL27713290 0.78 ALDH1A1 (0.49) CA1CA2CA9CA12ALDH1A1
SCHEMBL8062062 0.78 ALDH1A1 (0.55) CA1CA2CA9CA12ALDH1A1
SCHEMBL27713289 0.77 ALDH1A1 (0.50) CA1CA2CA9CA12ALDH1A1
SCHEMBL22717094 0.77 CES1 (0.44) CA1CA2CA9CA12ALDH1A1
SCHEMBL22535897 0.76 ALDH1A1 (0.53) ALDH1A1LMNATDP1MAPK1L3MBTL1
SCHEMBL6945759 0.76 ALDH1A1 (0.53) CA1CA2CA9CA12ALDH1A1

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
WO-1999021869-A1 ERYTHROMYCIN A, 11,12-CARBAMATE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed