SCHEMBL4644667

SCHEMBL4644667

CCCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.62
MMP1 P03956 9/20 0.62
MMP9 P14780 8/20 0.62
MMP8 P22894 8/20 0.62
NMBR P28336 2/20 0.61
MMP14 P50281 3/20 0.61
ADAM10 O14672 1/20 0.61
ADAM12 O43184 1/20 0.61
ADAMTS4 O75173 1/20 0.61
MMP3 P08254 1/20 0.61
MMP7 P09237 1/20 0.61
MMP12 P39900 1/20 0.61
MMP13 P45452 1/20 0.61
MMP15 P51511 1/20 0.61
MMP16 P51512 1/20 0.61
ADAM17 P78536 1/20 0.61
ADAM9 Q13443 1/20 0.61
MMP26 Q9NRE1 1/20 0.61
MMP17 Q9ULZ9 1/20 0.61
ADAMTS5 Q9UNA0 1/20 0.61

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
SCHEMBL8019332 0.87 NMBR (0.71) MMP2MMP1MMP9MMP8NMBR
SCHEMBL641549 0.85 CCKBR (0.70) MMP2MMP1MMP9MMP8MMP14
SCHEMBL1373082 0.85 CCKBR (0.63) MMP2MMP1MMP9MMP8MMP14
SCHEMBL6020214 0.84 NMBR (0.60) NMBR
SCHEMBL4612012 0.83 KCNA5 (0.63) NMBR
SCHEMBL8547809 0.83 KMT2A (0.66) NMBR
SCHEMBL3820631 0.83 KCNA5 (0.63) NMBR
SCHEMBL8785114 0.83 KCNA5 (0.63) NMBR
SCHEMBL6413828 0.82 MMP2 (0.68) MMP2MMP1MMP9MMP8MMP14
SCHEMBL6020516 0.81 CTSL (0.72) MMP2MMP1MMP8NMBR

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
EP-1957112-A2 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE Sanna, Pietro Paolo (US) 2008-08-20 EP disclosed
WO-2007062048-A2 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SCRIPPS RESEARCH INST (US) 2007-05-31 WO disclosed
EP-1399466-A2 COMPOUNDS AND METHODS FOR THE MODULATION OF CD154 MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-03-24 EP disclosed
WO-2002089730-A2 COMPOUNDS AND METHODS FOR THE MODULATION OF CD154 THE CENTER FOR BLOOD RESEARCH, INC. (US) 2002-11-14 WO disclosed