SCHEMBL8740498

SCHEMBL8740498

C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.68
CTSK P43235 7/20 0.68
CTSB P07858 5/20 0.68
REN P00797 3/20 0.55
PTPN1 P18031 1/20 0.52
CTSL P07711 3/20 0.50
MMP9 P14780 2/20 0.49
MMP8 P22894 1/20 0.49
OPRD1 P41143 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
FCER2 P06734 1/20 0.47
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 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
SCHEMBL5556443 1.00 CTSS (0.68) CTSSCTSKCTSBRENPTPN1
SCHEMBL8740495 0.90 CTSS (0.72) CTSSCTSKCTSBRENPTPN1
SCHEMBL9331930 0.89 CTSS (0.69) CTSSCTSKCTSBRENPTPN1
SCHEMBL7655882 0.89 CTSS (0.69) CTSSCTSKCTSBRENPTPN1
SCHEMBL8740509 0.89 CTSS (0.69) CTSSCTSKCTSBRENPTPN1
SCHEMBL8740501 0.88 CTSB (0.53) CTSSCTSKCTSBRENPTPN1
SCHEMBL8896177 0.87 REN (0.66) CTSSCTSKCTSBRENCTSL
SCHEMBL16576494 0.87 REN (0.66) CTSSCTSKCTSBRENCTSL
SCHEMBL5966507 0.85 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL5557866 0.85 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629285-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-05-13 US disclosed
EP-0715619-A4 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORP (US) 1997-03-19 EP disclosed
EP-0715619-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1996-06-12 EP disclosed
WO-1995006031-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1995-03-02 WO disclosed