SCHEMBL11102828

SCHEMBL11102828

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.55
▸ OPRM1 P35372 2/20 0.55
▸ OPRD1 P41143 2/20 0.55
▸ ECE1 P42892 10/20 0.54
▸ ERAP2 Q6P179 1/20 0.52
▸ PRMT1 Q99873 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP3 P08254 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ LTA4H P09960 1/20 0.49

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
SCHEMBL11102835 1.00 ACE (0.55) ACEOPRM1OPRD1ECE1ERAP2
SCHEMBL30834729 0.92 ACE (0.61) ACEECE1ERAP2
SCHEMBL30544283 0.89 ECE1 (0.58) ACEOPRM1OPRD1ECE1ERAP2
SCHEMBL31039961 0.85 MAGI3 (0.58) ACEECE1ERAP2
SCHEMBL29492470 0.85 ACE (0.62) ACEECE1ERAP2MMP1MMP9
SCHEMBL29696985 0.85 ACE (0.65) ACEECE1ERAP2
SCHEMBL30053213 0.84 ACE (0.64) ACEOPRM1OPRD1ECE1ERAP2
SCHEMBL21641791 0.83 ACE (0.73) ACEECE1ERAP2
SCHEMBL21641793 0.83 ACE (0.73) ACEECE1ERAP2
SCHEMBL21641792 0.83 ACE (0.73) ACEECE1ERAP2

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-0097936-A2 Nonapeptide having an immunostimulating activity, process for its preparation and its use HOECHST AKTIENGESELLSCHAFT (DE) 1984-01-11 — — EP disclosed
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