SCHEMBL7329863

SCHEMBL7329863

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.54
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL5709619 0.92 CTSS (0.53) RENCTSSCTSKCTSDCTSE
SCHEMBL7272375 0.92 CTSS (0.53) RENCTSSCTSKCTSDCTSE
SCHEMBL13306504 0.92 CTSS (0.53) RENCTSSCTSKCTSDCTSE
SCHEMBL7297295 0.91 CTSS (0.52) RENCTSSCTSKCTSDCTSE
SCHEMBL27625588 0.91 CTSS (0.51) RENCTSSCTSKCTSDCTSE
SCHEMBL9848334 0.91 CTSS (0.56) RENCTSSCTSKCTSDCTSE
SCHEMBL6448979 0.91 CTSS (0.56) RENCTSSCTSKCTSDCTSE
SCHEMBL8536013 0.91 CTSS (0.56) RENCTSSCTSKCTSDCTSE
SCHEMBL7284721 0.89 CTSS (0.55) RENCTSSCTSKCTSDCTSE
SCHEMBL7265165 0.89 CTSS (0.50) RENCTSSCTSKCTSDCTSE

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-0410278-B1 Renin inhibiting aminooligohydroxy-derivatives HOECHST AG (DE) 1994-01-19 EP disclosed
EP-0410278-A1 Renin inhibiting aminooligohydroxy-derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-30 EP disclosed