SCHEMBL7429302

SCHEMBL7429302

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)N(C(=O)OCc1ccccc1)C(=O)C(CCCCC(=O)OC)SC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.55
MMP2 P08253 6/20 0.50
MMP9 P14780 6/20 0.50
MMP8 P22894 6/20 0.50
NMBR P28336 1/20 0.48
ECE1 P42892 1/20 0.48
REN P00797 2/20 0.47
IL1RN P18510 3/20 0.47
ERAP2 Q6P179 3/20 0.47
ERAP1 Q9NZ08 3/20 0.47

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
SCHEMBL7488102 0.84 MMP1 (0.47) MMP1MMP2MMP9MMP8REN
SCHEMBL7887257 0.83 MMP1 (0.66) MMP1MMP2MMP9MMP8ERAP2
SCHEMBL6413967 0.83 MMP1 (0.66) MMP1MMP2MMP9MMP8ERAP2
SCHEMBL7895827 0.83 MMP1 (0.66) MMP1MMP2MMP9MMP8ERAP2
SCHEMBL7482029 0.80 MMP1 (0.41) MMP1MMP2MMP9MMP8
SCHEMBL7420777 0.78 MMP1 (0.41) MMP1MMP2MMP9REN
SCHEMBL7426256 0.78 MMP1 (0.54) MMP1MMP2MMP9MMP8REN
SCHEMBL8390442 0.78 ERAP2 (0.59) MMP1ECE1IL1RNERAP2ERAP1
SCHEMBL7763613 0.77 REN (0.44) MMP1MMP2MMP9MMP8NMBR
SCHEMBL7384431 0.77 REN (0.46) MMP2MMP9MMP8NMBRREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed