SCHEMBL8636757

SCHEMBL8636757

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.50
ACE P12821 10/20 0.42
LMNA P02545 2/20 0.42
ABCB11 O95342 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F10 P00742 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 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
SCHEMBL8640412 0.91 REN (0.46) MMEACELMNAABCB11SMN1; SMN2
SCHEMBL8639879 0.88 ACE (0.42) MMEACELMNAABCB11SMN1; SMN2
SCHEMBL8639909 0.87 REN (0.43) MMEACELMNAABCB11SMN1; SMN2
SCHEMBL8638062 0.87 REN (0.42) MMEACELMNAABCB11SMN1; SMN2
SCHEMBL8644979 0.87 REN (0.42) MMEACELMNAABCB11SMN1; SMN2
SCHEMBL8756920 0.84 REN (0.47) MMEACELMNAABCB11SMN1; SMN2
SCHEMBL8645002 0.84 REN (0.41) MMEACELMNAF10F2
SCHEMBL8641283 0.83 MME (0.66) MMEACE
SCHEMBL8638508 0.83 NPC1 (0.39) MMEACEMEN1KMT2ARAB9A
SCHEMBL8642399 0.83 NPC1 (0.39) MMEACEMEN1KMT2ARAB9A

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