SCHEMBL11010959

SCHEMBL11010959

COC(C=O)CCCCN[C@@H](Cc1ccccc1)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.45
CTSK P43235 5/20 0.45
CTSB P07858 2/20 0.45
CTSL P07711 2/20 0.45
AKT1 P31749 1/20 0.43
ATM Q13315 1/20 0.42
PAX8 Q06710 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
ACE P12821 1/20 0.41
KLK5 Q9Y337 1/20 0.41
APP P05067 1/20 0.40
BCHE P06276 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
PTPN1 P18031 2/20 0.39
PTPRA P18433 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
SCHEMBL11010955 0.85 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7064453 0.83 BCHE (0.53) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10604850 0.82 CTSS (0.49) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10653891 0.82 CTSS (0.51) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10655014 0.81 CTSS (0.48) CTSSCTSKCTSBCTSLAKT1
SCHEMBL15021100 0.75 CTSS (0.58) CTSSCTSKCTSBCTSLAKT1
SCHEMBL13731820 0.75 CTSS (0.58) CTSSCTSKCTSBCTSLAKT1
SCHEMBL4420857 0.72 ATM (0.55) CTSSCTSKCTSBCTSLAKT1
SCHEMBL8613335 0.71 CTSK (0.65) CTSSCTSKMMP1MMP3MMP9
SCHEMBL2429816 0.71 BCHE (0.49) BCHE

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-0136720-A2 Enkephalin analogs G.D. Searle & Co. (US) 1985-04-10 EP disclosed