SCHEMBL9848334

SCHEMBL9848334

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.56
CTSK P43235 2/20 0.56
REN P00797 11/20 0.51
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
GAA P10253 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EPHX1 P07099 1/20 0.43
AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL6448979 1.00 CTSS (0.56) CTSSCTSKRENCA1CA2
SCHEMBL8536013 1.00 CTSS (0.56) CTSSCTSKRENCA1CA2
SCHEMBL7265417 0.95 CTSS (0.52) CTSSCTSKRENCA1CA2
SCHEMBL7272524 0.93 CTSS (0.51) CTSSCTSKRENCA1CA2
SCHEMBL7272530 0.93 CTSS (0.51) CTSSCTSKRENCA1CA2
SCHEMBL5709574 0.93 CTSS (0.53) CTSSCTSKRENCA1CA2
SCHEMBL7284721 0.93 CTSS (0.55) CTSSCTSKRENCA1CA2
SCHEMBL7297295 0.92 CTSS (0.52) CTSSCTSKRENCA1CA2
SCHEMBL7339890 0.91 CTSS (0.51) CTSSCTSKRENCA1CA2
SCHEMBL7329863 0.91 REN (0.54) CTSSCTSKRENCA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP disclosed