SCHEMBL8846626

SCHEMBL8846626

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.56
▸ ERAP2 Q6P179 2/20 0.55
▸ PPARG P37231 1/20 0.53
▸ ECE1 P42892 4/20 0.52
▸ LTA4H P09960 1/20 0.52
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL8846613 0.94 ERAP2 (0.62) ACEERAP2PPARGECE1LTA4H
SCHEMBL644404 0.92 ERAP2 (0.60) ACEERAP2PPARGALOX15
SCHEMBL645413 0.92 ERAP2 (0.60) ACEERAP2PPARGALOX15
SCHEMBL642931 0.92 ERAP2 (0.60) ACEERAP2PPARGALOX15
SCHEMBL27780903 0.92 ERAP2 (0.60) ACEERAP2PPARGALOX15
SCHEMBL643229 0.92 ERAP2 (0.60) ACEERAP2PPARGALOX15
SCHEMBL30997441 0.91 ACE (0.61) ACEERAP2ECE1ALOX15
Ammonia Solution, Strong SCHEMBL645221 0.91 ERAP2 (0.59) ACEERAP2PPARGALOX15
Calcium SCHEMBL730968 0.91 ERAP2 (0.59) ACEERAP2PPARGALOX15
Magnesium SCHEMBL730627 0.91 KDM4E (0.61) ACEERAP2PPARGALOX15

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-0768888-A1 USE OF MURAMYL PEPTIDE COMPOUNDS PEPTECH (UK) LIMITED (GB) 1997-04-23 — — EP disclosed
EP-0722332-A1 COMPOUNDS FOR MEDICINAL USE PEPTECH (UK) LIMITED (GB) 1996-07-24 — — EP disclosed
WO-1996001645-A1 USE OF MURAMYL PEPTIDE COMPOUNDS PEPTECH(UK) LIMITED (GB) 1996-01-25 — — WO disclosed
WO-1995010293-A1 COMPOUNDS FOR MEDICINAL USE PEPTECH (UK) LIMITED (GB) 1995-04-20 — — WO disclosed
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