SCHEMBL8740489

SCHEMBL8740489

C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCC(=O)NOCc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.51
MMP8 P22894 4/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CTSL P07711 1/20 0.51
OPRD1 P41143 1/20 0.49
MMP2 P08253 3/20 0.47
FCER2 P06734 3/20 0.47
MC4R P32245 1/20 0.47
F2 P00734 1/20 0.46
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
CTSK P43235 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44

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
SCHEMBL8740516 0.88 MMP9 (0.53) MMP9MMP8CTSBCTSSCTSL
SCHEMBL5552656 0.86 MMP9 (0.64) MMP9MMP8MMP2FCER2PTPN1
SCHEMBL8740506 0.86 MMP9 (0.56) MMP9MMP8OPRD1MMP2FCER2
SCHEMBL8740501 0.82 CTSB (0.53) MMP9MMP8CTSBCTSSCTSL
SCHEMBL5556443 0.78 CTSS (0.68) MMP9MMP8CTSBCTSSCTSL
SCHEMBL8740498 0.78 CTSS (0.68) MMP9MMP8CTSBCTSSCTSL
SCHEMBL20827964 0.75 OPRD1 (0.52) MMP9MMP8CTSBCTSSCTSL
SCHEMBL26426392 0.75 FCER2 (0.58) MMP9MMP8FCER2MMEACE
SCHEMBL5556869 0.75 OPRD1 (0.61) MMP9MMP8OPRD1FCER2MME
SCHEMBL5558457 0.75 OPRD1 (0.61) MMP9MMP8OPRD1FCER2MME

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