SCHEMBL8639879

SCHEMBL8639879

CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)OC)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.42
LMNA P02545 2/20 0.42
ABCB11 O95342 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MME P08473 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
PDE3A Q14432 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
SCHEMBL8636757 0.88 MME (0.50) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL8640412 0.87 REN (0.46) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL8640345 0.83 MME (0.53) ACESMN1; SMN2MEN1KMT2AMME
SCHEMBL8640416 0.83 MME (0.53) ACESMN1; SMN2MEN1KMT2AMME
SCHEMBL8639909 0.83 REN (0.43) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL8638062 0.83 REN (0.42) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL8644979 0.83 REN (0.42) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL8645002 0.81 REN (0.41) ACELMNAMME
SCHEMBL8756920 0.80 REN (0.47) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL8638508 0.79 NPC1 (0.39) ACEMEN1KMT2AMME

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-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed