SCHEMBL28952015

SCHEMBL28952015

CC(C)(C)OC(=O)N1CCC(OC(=O)N[C@@H](CC2CCCCC2)C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.50
CTSS P25774 2/20 0.50
EPHX1 P07099 1/20 0.46
ITGAV P06756 1/20 0.45
ITGB6 P18564 1/20 0.45
HPGD P15428 1/20 0.43
YAP1 P46937 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
CPB2 Q96IY4 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL28952017 1.00 CTSK (0.50) CTSKCTSSEPHX1ITGAVITGB6
SCHEMBL28951196 0.90 CTSK (0.47) CTSKCTSSEPHX1ITGAVITGB6
SCHEMBL25524311 0.90 CTSK (0.47) CTSKCTSSEPHX1ITGAVITGB6
SCHEMBL21571163 0.85 CTSS (0.54) CTSKCTSSEPHX1HPGDYAP1
SCHEMBL2748421 0.85 CTSS (0.54) CTSKCTSSEPHX1HPGDYAP1
SCHEMBL6689450 0.85 CTSS (0.54) CTSKCTSSEPHX1HPGDYAP1
SCHEMBL6879172 0.84 CTSS (0.49) CTSKCTSSEPHX1HPGDYAP1
SCHEMBL6592042 0.84 CTSS (0.49) CTSKCTSSEPHX1HPGDYAP1
SCHEMBL25198479 0.83 MAPK1 (0.53) CTSKCTSSITGAVITGB6MAPK1
SCHEMBL25266611 0.83 MAPK1 (0.53) CTSKCTSSITGAVITGB6MAPK1

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-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 EP disclosed
CN-115698035-A Inhibitors of norovirus and coronavirus replication 共晶制药公司 2023-02-03 CN disclosed