SCHEMBL6874696

SCHEMBL6874696

O=C(O)[C@H](CC1CCCCC1)NC(=O)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.55
CTSS P25774 7/20 0.50
GRN P28799 2/20 0.50
SORT1 Q99523 2/20 0.50
CTSL P07711 5/20 0.49
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
CTSB P07858 2/20 0.44
LTA4H P09960 1/20 0.43
CTSK P43235 1/20 0.41
CCKBR P32239 1/20 0.41

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
SCHEMBL7289965 0.89 MEN1 (0.50) CPB2CTSSGRNSORT1CTSL
SCHEMBL6876245 0.88 CTSS (0.64) CPB2CTSSGRNSORT1CTSL
SCHEMBL7297694 0.87 CTSS (0.48) CPB2CTSSGRNSORT1CTSL
SCHEMBL9124964 0.87 CPB2 (0.45) CPB2CTSSGRNSORT1CTSL
SCHEMBL7297681 0.87 CTSS (0.48) CPB2CTSSGRNSORT1CTSL
Lithium Ion SCHEMBL5521688 0.85 CTSS (0.48) CPB2CTSSCTSLPOLBHTT
SCHEMBL6876113 0.84 ALDH1A1 (0.50) CPB2CTSSGRNSORT1CTSL
SCHEMBL6592042 0.82 CTSS (0.49) CPB2CTSSGRNSORT1CTSL
SCHEMBL6879172 0.82 CTSS (0.49) CPB2CTSSGRNSORT1CTSL
SCHEMBL5523061 0.81 CTSS (0.62) CPB2CTSSCTSLCTSBCTSK

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-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed