SCHEMBL8446495

SCHEMBL8446495

CCC(c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)N(CC(C)C)C[C@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.43
ACE P12821 5/20 0.43
MMP3 P08254 4/20 0.37
MMP1 P03956 2/20 0.37
CTSB P07858 1/20 0.37
PTGES O14684 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
ACACB O00763 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ECE1 P42892 1/20 0.35
CTSK P43235 1/20 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 0.93 MME (0.47) MMEACEMMP3MMP1CTSB
SCHEMBL8449153 0.91 ACE (0.47) MMEACEMMP3PTGES
SCHEMBL8450057 0.89 MME (0.40) MMEACEMMP3MMP1CTSB
SCHEMBL8451246 0.88 MME (0.47) MMEACEMMP3CTSBPTGES
SCHEMBL8450113 0.87 MME (0.43) MMEACEMMP3CTSBPTGES
SCHEMBL8453092 0.86 MME (0.43) MMEACEMMP3MMP1CTSB
SCHEMBL8452112 0.84 MME (0.40) MMEACEMMP3MMP1CTSB
SCHEMBL8451272 0.84 PTGES (0.39) MMEACEMMP3CTSBPTGES
SCHEMBL8449905 0.84 MME (0.52) MMEACEMMP3PTGES
SCHEMBL8453054 0.83 MME (0.42) MMEACEMMP3CTSBECE1

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