SCHEMBL7297892

SCHEMBL7297892

CC(C)(C)OC(=O)N1CC[C@H](OC(=O)c2ccccc2)[C@H]1COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.47
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
PARP1 P09874 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
STS P08842 1/20 0.39
HCRTR2 O43614 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FOLH1 Q04609 1/20 0.38
KLK5 Q9Y337 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
SCHEMBL29997995 0.87 KLK7 (0.46) KLK7KDM4EPKMGPR119JAK2
SCHEMBL8908032 0.83 KLK7 (0.47) KLK7KDM4EPKMPARP1GPR119
SCHEMBL8907403 0.83 KLK7 (0.47) KLK7KDM4EPKMPARP1GPR119
SCHEMBL7869122 0.83 KLK7 (0.41) KLK7KDM4EPKMGPR119HCRTR2
SCHEMBL7301938 0.83 KLK7 (0.47) KLK7KDM4EPKMPARP1GPR119
SCHEMBL31228337 0.82 KLK7 (0.46) KLK7KDM4EPKMPARP1GPR119
SCHEMBL31228493 0.82 KLK7 (0.46) KLK7KDM4EPKMPARP1GPR119
SCHEMBL31228495 0.82 KLK7 (0.46) KLK7KDM4EPKMPARP1GPR119
SCHEMBL13625747 0.81 KDM4E (0.42) KLK7KDM4EPKMGPR119HCRTR2
SCHEMBL145604 0.81 KDM4E (0.42) KLK7KDM4EPKMGPR119STS

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
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed