SCHEMBL8451272

SCHEMBL8451272

O=C(OCc1ccccc1)[C@@H](CCc1ccccc1)CN(Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.39
MME P08473 3/20 0.39
ACE P12821 2/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
FDFT1 P37268 1/20 0.37
CTSB P07858 1/20 0.36
LPAR1 Q92633 1/20 0.36
MMP3 P08254 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
CTSL P07711 2/20 0.35
MMP12 P39900 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35

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
SCHEMBL8450247 0.91 MME (0.47) MMEACECPA1ACE2FDFT1
SCHEMBL8449555 0.90 UTS2R (0.38) PTGESMMEACECTSBLPAR1
SCHEMBL8450818 0.88 MME (0.40) MMEACECPA1ACE2FDFT1
SCHEMBL7567864 0.86 ACE (0.51) PTGESMMEACECPA1ACE2
SCHEMBL7567868 0.86 ACE (0.51) PTGESMMEACECPA1ACE2
SCHEMBL8450113 0.85 MME (0.43) PTGESMMEACECTSBMMP3
SCHEMBL8451268 0.85 MME (0.46) PTGESMMEACECPA1ACE2
SCHEMBL8451246 0.84 MME (0.47) PTGESMMEACECPA1ACE2
SCHEMBL8446495 0.84 MME (0.43) PTGESMMEACECTSBMMP3
SCHEMBL8453092 0.84 MME (0.43) PTGESMMEACEACE2CTSB

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
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed