SCHEMBL4785949

SCHEMBL4785949

CC(C)(C)OC(=O)N([C@@H](Cc1ccc(O)cc1)C(=O)O)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SLC7A5 Q01650 1/20 0.38
ITGA4 P13612 2/20 0.36
ITGB7 P26010 2/20 0.36
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
BLM P54132 1/20 0.34
FOLH1 Q04609 1/20 0.34

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
SCHEMBL7692325 0.90 CPA1 (0.43) CTSSCTSKSLC7A5ITGA4ITGB7
SCHEMBL7692324 0.90 CPA1 (0.43) CTSSCTSKSLC7A5ITGA4ITGB7
SCHEMBL27166271 0.81 CTSS (0.43) CTSSCTSKSLC7A5ITGA4ITGB7
SCHEMBL10604721 0.81 CTSS (0.43) CTSSCTSKSLC7A5ITGA4ITGB7
SCHEMBL6661008 0.81 CTSS (0.44) CTSSCTSKSLC7A5ESR1ESR2
SCHEMBL8766144 0.81 CTSS (0.44) CTSSCTSKSLC7A5ESR1ESR2
SCHEMBL4778626 0.81 CTSS (0.44) CTSSCTSKSLC7A5ESR1ESR2
SCHEMBL7782926 0.80 PPARG (0.41) CTSSCTSKITGA4ITGB7PPARG
SCHEMBL23567069 0.80 CTSS (0.44) CTSSCTSKSLC7A5ITGA4ITGB7
SCHEMBL22804104 0.80 SLC7A5 (0.45) CTSSCTSKSLC7A5ITGA4ITGB7

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-2008131047-A2 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF TO MODULATE LIPID METABOLISM THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 WO disclosed