SCHEMBL992429

SCHEMBL992429

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)OCI

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.43
MMP13 P45452 1/20 0.43
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
AKT1 P31749 1/20 0.41
ATM Q13315 1/20 0.40
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SYK P43405 1/20 0.38
ABCB1 P08183 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM1 P11229 1/20 0.38
GAA P10253 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ACE P12821 1/20 0.37

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
SCHEMBL6600202 0.88 MMP8 (0.46) RENMMP13ITGA4ITGB7AKT1
SCHEMBL8724329 0.87 ITGA4 (0.49) RENMMP13ITGA4ITGB7ATM
SCHEMBL8724334 0.87 ITGA4 (0.49) RENMMP13ITGA4ITGB7ATM
SCHEMBL12600955 0.87 ITGA4 (0.49) RENMMP13ITGA4ITGB7ATM
SCHEMBL65502 0.85 MMP13 (0.46) RENMMP13ITGA4ITGB7ATM
SCHEMBL2476924 0.85 MMP13 (0.46) RENMMP13ITGA4ITGB7ATM
SCHEMBL1401042 0.85 MMP13 (0.46) RENMMP13ITGA4ITGB7ATM
SCHEMBL16715161 0.84 CTSS (0.46) RENMMP13ITGA4ITGB7ATM
SCHEMBL16715162 0.84 CTSS (0.46) RENMMP13ITGA4ITGB7ATM
SCHEMBL8164713 0.84 REN (0.48) RENMMP13ITGA4ITGB7AKT1

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-2011011483-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-01-27 WO disclosed