SCHEMBL18091

SCHEMBL18091

COc1cccc(CC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.45
CTSS P25774 7/20 0.40
CTSK P43235 6/20 0.40
TGFBR1 P36897 1/20 0.39
PTPRB P23467 1/20 0.39
ITGA4 P13612 2/20 0.38
PTPN1 P18031 2/20 0.38
ITGB7 P26010 1/20 0.38
CTSB P07858 4/20 0.38
ITGB1 P05556 2/20 0.38
KLK5 Q9Y337 1/20 0.38
CTSL P07711 2/20 0.38
SUCNR1 Q9BXA5 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGB5 P18084 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 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
SCHEMBL18092 1.00 ACE (0.45) ACECTSSCTSKTGFBR1PTPRB
SCHEMBL17294 0.89 PTPRB (0.39) ACECTSSCTSKTGFBR1PTPRB
SCHEMBL17295 0.89 PTPRB (0.39) ACECTSSCTSKTGFBR1PTPRB
SCHEMBL30916055 0.80 KLK5 (0.47) ACECTSSCTSKCTSBKLK5
SCHEMBL18154504 0.79 ACE (0.69) ACECTSSCTSKCTSBKLK5
SCHEMBL10688353 0.79 ACE (0.69) ACECTSSCTSKCTSBKLK5
SCHEMBL30487469 0.79 ACE (0.69) ACECTSSCTSKCTSBKLK5
SCHEMBL14118511 0.77 ACE (0.51) ACECTSSCTSKITGA4PTPN1
SCHEMBL14118513 0.77 ACE (0.51) ACECTSSCTSKITGA4PTPN1
SCHEMBL18495333 0.77 ACE (0.66) ACECTSSCTSKPTPN1CTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed