SCHEMBL4669804

SCHEMBL4669804

CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[C@@H](O)C(N)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
ITGA4 P13612 2/20 0.44
ITGB7 P26010 2/20 0.44
LTA4H P09960 2/20 0.42
SLC7A5 Q01650 2/20 0.42
ATM Q13315 1/20 0.41
KLK5 Q9Y337 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL28295654 1.00 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL8486317 1.00 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL5016667 0.86 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL6703242 0.86 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL9833389 0.84 ITGA4 (0.47) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL28301560 0.83 ITGA4 (0.45) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL27613188 0.83 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL8069353 0.82 ITGA4 (0.45) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL27773551 0.82 SLC1A1 (0.64) SLC1A3SLC1A2SLC1A1ITGA4ITGB7
SCHEMBL27608532 0.82 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1ITGA4ITGB7

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-1792986-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2008-12-31 EP claimed