SCHEMBL8451246

SCHEMBL8451246

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.47
ACE P12821 6/20 0.47
FDFT1 P37268 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MMP3 P08254 2/20 0.38
CPA1 P15085 2/20 0.37
ACE2 Q9BYF1 1/20 0.37
CTSB P07858 1/20 0.37
CPA2 P48052 1/20 0.36
CPA4 Q9UI42 1/20 0.36
PTGES O14684 1/20 0.36

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 0.93 MME (0.47) MMEACEFDFT1MMP3CPA1
SCHEMBL8449905 0.91 MME (0.52) MMEACEFDFT1MMP3CPA1
SCHEMBL8453137 0.89 MME (0.43) MMEACEFDFT1SMN1; SMN2MMP3
SCHEMBL8451265 0.89 MME (0.49) MMEACEFDFT1MMP3CPA1
SCHEMBL8446495 0.88 MME (0.43) MMEACEMMP3CTSBPTGES
SCHEMBL8449331 0.88 MME (0.44) MMEACEFDFT1MMP3
SCHEMBL8450113 0.87 MME (0.43) MMEACEMMP3CTSBPTGES
SCHEMBL8448666 0.87 MME (0.51) MMEACEFDFT1MMP3CPA1
SCHEMBL7566353 0.87 MME (0.64) MMEACEMMP3CPA1ACE2
SCHEMBL7566357 0.87 MME (0.64) MMEACEMMP3CPA1ACE2

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