SCHEMBL8387205

SCHEMBL8387205

COC(=O)CCCCC(S)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 5/20 0.70
ERAP2 Q6P179 6/20 0.62
ACE P12821 2/20 0.61
IL1RN P18510 5/20 0.57
ERAP1 Q9NZ08 4/20 0.57
MMP1 P03956 3/20 0.56

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
SCHEMBL7382131 0.92 MMP1 (0.67) ECE1MMP1
SCHEMBL8764276 0.92 MMP1 (0.67) ECE1MMP1
SCHEMBL6414569 0.92 MMP1 (0.67) ECE1MMP1
SCHEMBL8390442 0.89 ERAP2 (0.59) ECE1ERAP2ACEIL1RNERAP1
SCHEMBL7894286 0.86 MMP2 (0.66) ECE1ERAP2ACEIL1RNERAP1
SCHEMBL8764745 0.84 ECE1 (0.57) ECE1ERAP2ACEIL1RNERAP1
SCHEMBL8385738 0.84 MME (0.61) ACEMMP1
SCHEMBL7382939 0.84 MME (0.61) ACEMMP1
SCHEMBL8387115 0.83 ECE1 (0.67) ECE1ERAP2ACEIL1RNERAP1
SCHEMBL7895827 0.81 MMP1 (0.66) ERAP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP claimed