SCHEMBL7332128

SCHEMBL7332128

CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.65
BCL2 P10415 2/20 0.61
PTPN1 P18031 3/20 0.59
HDAC8 Q9BY41 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
PSMB10 P40306 2/20 0.53
PSMB2 P49721 1/20 0.53
REN P00797 1/20 0.53
CTSS P25774 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSK P43235 1/20 0.53
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
PPARA Q07869 1/20 0.52
PPARG P37231 1/20 0.51
YAP1 P46937 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL10377248 1.00 ACE (0.65) ACEBCL2PTPN1HDAC8ITGB3
SCHEMBL1791039 0.90 ACE (0.78) ACERENCTSSCTSLCTSB
SCHEMBL7326335 0.90 ACE (0.78) ACERENCTSSCTSLCTSB
SCHEMBL13537626 0.88 BCL2 (0.62) ACEBCL2PTPN1HDAC8ITGB3
SCHEMBL7320039 0.88 ACE (0.58) ACEBCL2PTPN1HDAC8ITGB3
SCHEMBL2891538 0.88 PTPN1 (0.73) ACEBCL2PTPN1HDAC8ITGB3
SCHEMBL193473 0.88 PTPN1 (0.73) ACEBCL2PTPN1HDAC8ITGB3
SCHEMBL193474 0.88 PTPN1 (0.73) ACEBCL2PTPN1HDAC8ITGB3
SCHEMBL3500186 0.86 BCL2 (0.64) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL3350988 0.86 BCL2 (0.64) BCL2PTPN1HDAC8ITGB3ITGA2B

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed