SCHEMBL16673455

SCHEMBL16673455

N[C@H](CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.46
▸ ECE1 P42892 1/20 0.44
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ GGT1 P19440 1/20 0.40

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
SCHEMBL4177756 1.00 ACE (0.46) ACEECE1ITGB3ITGA2BMMP2
SCHEMBL16673181 0.91 ACE (0.47) ACE
SCHEMBL16673188 0.91 ACE (0.47) ACE
SCHEMBL16673178 0.87 CA2 (0.43) ITGB3ITGA2B
SCHEMBL16673180 0.87 CA2 (0.43) ITGB3ITGA2B
SCHEMBL4170377 0.85 ACE (0.39) ACEECE1
SCHEMBL4170380 0.85 ACE (0.39) ACEECE1
SCHEMBL9829792 0.84 ITGB3 (0.49) ACEITGB3ITGA2B
SCHEMBL9829783 0.84 ITGB3 (0.49) ACEITGB3ITGA2B
SCHEMBL9667576 0.84 CTSC (0.47) —

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-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — EP claimed
EP-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — EP disclosed
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