SCHEMBL7259168

SCHEMBL7259168

N=CN(CC(F)(F)F)C(CC1CCCCC1)C(=O)NCCCC(O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.43
CTSL P07711 8/20 0.37
CTSK P43235 2/20 0.35
BMP1 P13497 1/20 0.34
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6063245 0.87 CTSS (0.45) CTSSCTSLCTSKFAAH
SCHEMBL5946271 0.84 CTSS (0.39) CTSSCTSLCTSKFAAH
Hydrochloric Acid SCHEMBL7255797 0.80 CTSS (0.47) CTSSCTSLCTSKALDH1A1L3MBTL1
SCHEMBL5945930 0.79 CTSS (0.48) CTSS
SCHEMBL7255828 0.79 CTSS (0.48) CTSSCTSLCTSK
SCHEMBL6206920 0.77 CTSS (0.41) CTSSFAAHALDH1A1L3MBTL1LMNA
SCHEMBL6061967 0.74 CTSS (0.46) CTSSCTSLCTSK
SCHEMBL7259493 0.71 CTSS (0.45) CTSSCTSLCTSK
SCHEMBL5703798 0.71 CTSS (0.44) CTSSCTSLCTSK
SCHEMBL6206025 0.70 MAPT (0.39) CTSS

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
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed