SCHEMBL9500867

SCHEMBL9500867

CC(C)(N)C(=O)OC(=O)[C@@H](N)Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CTNNB1 P35222 1/20 0.44
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TACR1 P25103 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NLN Q9BYT8 2/20 0.39
MMP9 P14780 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
AKT1 P31749 2/20 0.39
ATM Q13315 1/20 0.39
ROCK2 O75116 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
FGFR3 P22607 1/20 0.39
GSK3A P49840 1/20 0.39

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
SCHEMBL7311918 0.83 CTSS (0.51) SLC1A3SLC1A2SLC1A1CTNNB1CTSS
SCHEMBL6018293 0.81 ATM (0.50) SLC1A3SLC1A2SLC1A1CTNNB1L3MBTL1
SCHEMBL1902233 0.81 ATM (0.50) SLC1A3SLC1A2SLC1A1CTNNB1L3MBTL1
SCHEMBL3662087 0.80 CTNNB1 (0.47) SLC1A3SLC1A2SLC1A1CTNNB1L3MBTL1
Hydrochloric Acid SCHEMBL7066174 0.80 ATM (0.49) SLC1A3SLC1A2SLC1A1CTNNB1L3MBTL1
Hydrochloric Acid SCHEMBL9630734 0.80 ATM (0.49) SLC1A3SLC1A2SLC1A1CTNNB1L3MBTL1
SCHEMBL3936305 0.80 KMT2A (0.50) SLC1A3SLC1A2SLC1A1CTNNB1L3MBTL1
SCHEMBL8465002 0.80 KMT2A (0.50) SLC1A3SLC1A2SLC1A1CTNNB1L3MBTL1
Hydrochloric Acid SCHEMBL9632609 0.80 ATM (0.49) SLC1A3SLC1A2SLC1A1CTNNB1L3MBTL1
SCHEMBL7262986 0.80 KMT2A (0.50) SLC1A3SLC1A2SLC1A1CTNNB1L3MBTL1

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-0538399-A1 CYCLIC CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 1993-04-28 EP disclosed