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Sugi Predict / Compounds / SCHEMBL8764745

SCHEMBL8764745

SCHEMBL8764745

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 8/20 0.57
▸ ACE P12821 3/20 0.55
▸ ERAP2 Q6P179 3/20 0.55
▸ IL1RN P18510 2/20 0.51
▸ ERAP1 Q9NZ08 2/20 0.51
▸ MMP1 P03956 3/20 0.50

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
SCHEMBL8387205 0.84 ECE1 (0.70) ECE1ACEERAP2IL1RNERAP1
SCHEMBL8390442 0.81 ERAP2 (0.59) ECE1ACEERAP2IL1RNERAP1
SCHEMBL8763014 0.79 MME (0.50) ACEMMP1
SCHEMBL6414569 0.77 MMP1 (0.67) ECE1MMP1
SCHEMBL7382131 0.77 MMP1 (0.67) ECE1MMP1
SCHEMBL8764276 0.77 MMP1 (0.67) ECE1MMP1
SCHEMBL7384436 0.77 KDM4E (0.43) ECE1ACEERAP2ERAP1MMP1
SCHEMBL15692405 0.76 ECE1 (0.71) ECE1ACEERAP2IL1RNERAP1
SCHEMBL8015180 0.76 ECE1 (0.74) ECE1ACEERAP2
SCHEMBL15648656 0.76 ECE1 (0.71) ECE1ACEERAP2IL1RNERAP1

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-0784629-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES Chiroscience Limited (GB) 1997-07-23 — — EP claimed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 — — WO claimed