SCHEMBL6876245

SCHEMBL6876245

O=C(O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.64
CTSL P07711 12/20 0.63
CTSB P07858 3/20 0.56
CTSK P43235 7/20 0.52
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
CPB2 Q96IY4 1/20 0.46

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
SCHEMBL6874696 0.88 CPB2 (0.55) CTSSCTSLCTSBCTSKGRN
Lithium Ion SCHEMBL5523630 0.86 CTSS (0.61) CTSSCTSLCTSBCTSKPKM
SCHEMBL5523884 0.83 CTSS (0.73) CTSSCTSLCTSBCTSK
SCHEMBL7297694 0.82 CTSS (0.48) CTSSCTSLCTSBCTSKGRN
SCHEMBL7297681 0.82 CTSS (0.48) CTSSCTSLCTSBCTSKGRN
SCHEMBL12204063 0.82 CTSS (0.59) CTSSCTSLCTSBCTSKPKM
SCHEMBL7289965 0.81 MEN1 (0.50) CTSSCTSLCTSBGRNSORT1
SCHEMBL5523879 0.80 CTSS (0.66) CTSSCTSLCTSBCTSK
SCHEMBL1867207 0.80 CTSS (0.54) CTSSCTSLCTSBCTSKPKM
SCHEMBL6876113 0.79 ALDH1A1 (0.50) CTSSCTSLSMN1; SMN2GRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed
EP-0266950-B1 Nor-statine and nor-cyclostatine polypeptides PFIZER (US) 1993-12-29 EP disclosed
US-5034376-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1991-07-23 US disclosed
US-4935405-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1990-06-19 US disclosed
US-4814342-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1989-03-21 US disclosed
EP-0266950-A2 Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1988-05-11 EP disclosed