SCHEMBL8740501

SCHEMBL8740501

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.53
CTSS P25774 3/20 0.53
CTSK P43235 2/20 0.53
OPRD1 P41143 1/20 0.47
MMP9 P14780 6/20 0.46
MMP8 P22894 5/20 0.46
MMP2 P08253 4/20 0.46
REN P00797 1/20 0.45
FCER2 P06734 3/20 0.44
MC4R P32245 1/20 0.43
ACE P12821 2/20 0.43
MME P08473 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
CTSL P07711 2/20 0.42
IDE P14735 1/20 0.41
PTPN1 P18031 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
SCHEMBL8740498 0.88 CTSS (0.68) CTSBCTSSCTSKOPRD1MMP9
SCHEMBL5556443 0.88 CTSS (0.68) CTSBCTSSCTSKOPRD1MMP9
SCHEMBL8740516 0.86 MMP9 (0.53) CTSBCTSSCTSKOPRD1MMP9
SCHEMBL8740506 0.86 MMP9 (0.56) OPRD1MMP9MMP8MMP2FCER2
SCHEMBL8740489 0.82 MMP9 (0.51) CTSBCTSSCTSKOPRD1MMP9
SCHEMBL8593007 0.80 CTSB (0.52) CTSBCTSSCTSKMMP9MMP8
SCHEMBL8740495 0.79 CTSS (0.72) CTSBCTSSCTSKMMP9MMP8
SCHEMBL7655882 0.77 CTSS (0.69) CTSBCTSSCTSKMMP9MMP8
SCHEMBL9331930 0.77 CTSS (0.69) CTSBCTSSCTSKMMP9MMP8
SCHEMBL8740509 0.77 CTSS (0.69) CTSBCTSSCTSKMMP9MMP8

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 5 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
US-5594106-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-01-14 US 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