SCHEMBL8301698

SCHEMBL8301698

CC12CC3CC(C)(C1)CC([C@H](NC(=O)OC(C)(C)C)C(=O)O)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
CTSS P25774 4/20 0.33
CTSK P43235 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
EPHX2 P34913 3/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL21747113 1.00 KMT2A (0.35) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL21747114 0.93 KMT2A (0.33) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL30170170 0.87 KMT2A (0.41) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL18631592 0.87 KMT2A (0.41) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL8324848 0.84 DPP4 (0.35) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL21157404 0.83 KMT2A (0.34) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL21156668 0.83 KMT2A (0.33) KMT2AMEN1GAACTSSCTSK
SCHEMBL15535916 0.82 KMT2A (0.48) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL27978333 0.82 KMT2A (0.48) KMT2AMEN1GAAMAPK1HDAC4
SCHEMBL8299304 0.82 KMT2A (0.48) KMT2AMEN1GAAMAPK1HDAC4

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-1658066-B9 ADAMANTYLGLYCINE- BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1658066-B1 ADAMANTYLGLYCINE- BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES BRISTOL MYERS SQUIBB CO (US) 2009-09-30 EP disclosed
WO-2005012249-A2 ADAMANTYGLYCINE- BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-10 WO disclosed