SCHEMBL6597651

SCHEMBL6597651

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccco1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.59
PTPN1 P18031 3/20 0.58
HDAC8 Q9BY41 1/20 0.52
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
REN P00797 1/20 0.51
CTSS P25774 3/20 0.51
CTSK P43235 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
PPARA Q07869 1/20 0.50
PSMB10 P40306 2/20 0.49
MCL1 Q07820 1/20 0.49
YAP1 P46937 1/20 0.49
PPARG P37231 1/20 0.49
ACE P12821 1/20 0.49
PSMB1 P20618 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMB5 P28074 1/20 0.49

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
SCHEMBL6592724 0.86 BCL2 (0.62) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL792956 0.86 BCL2 (0.64) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL2891538 0.86 PTPN1 (0.73) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL193474 0.86 PTPN1 (0.73) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL193473 0.86 PTPN1 (0.73) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL6161729 0.84 BCL2 (0.64) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL3350988 0.84 BCL2 (0.64) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL9752770 0.84 BCL2 (0.64) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL8094669 0.84 CTSS (0.50) ITGB3ITGA2BRENCTSSCTSK
SCHEMBL3500186 0.84 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081132-B1 HYDROXAMIC ACID DERIVATIVES AND MEDICINAL UTILIZATION THEREOF MITSUBISHI PHARMA CORP (JP) 2004-03-10 EP disclosed
US-6610729-B1 Inhibotors of TNF, antiinflammatory MITSUBISHI PHARMA CORPORATION (JP) 2003-08-26 US disclosed
EP-1081132-A1 HYDROXAMIC ACID DERIVATIVES AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-03-07 EP disclosed